Program PWSCF v.5.4.0 starts on 10Feb2017 at 23:15:10 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./FeHO2.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 49 28 8 1375 594 100 Max 50 29 9 1378 621 103 Sum 1767 1031 311 49535 21845 3659 bravais-lattice index = 14 lattice parameter (alat) = 12.1640 a.u. unit-cell volume = 502.7339 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.164039 celldm(2)= 1.000000 celldm(3)= 0.601218 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.885524 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.885524 0.464593 0.000000 ) a(3) = ( 0.000000 0.000000 0.601218 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.906021 -0.000000 ) b(2) = ( 0.000000 2.152421 -0.000000 ) b(3) = ( 0.000000 0.000000 1.663290 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) H 1.00 1.00790 H( 1.00) Fe 8.00 55.84500 Fe( 1.00) No symmetry found (note: 1 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E Cartesian axes number of k points= 460 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 2) = ( 0.0048214 0.0195675 -0.0000000), wk = 0.0021739 k( 3) = ( 0.0096428 0.0391349 -0.0000000), wk = 0.0021739 k( 4) = ( 0.0144643 0.0587024 -0.0000000), wk = 0.0021739 k( 5) = ( 0.0192857 0.0782698 -0.0000000), wk = 0.0021739 k( 6) = ( 0.0241071 0.0978373 -0.0000000), wk = 0.0021739 k( 7) = ( 0.0289285 0.1174048 -0.0000000), wk = 0.0021739 k( 8) = ( 0.0337500 0.1369722 -0.0000000), wk = 0.0021739 k( 9) = ( 0.0385714 0.1565397 -0.0000000), wk = 0.0021739 k( 10) = ( 0.0433928 0.1761071 -0.0000000), wk = 0.0021739 k( 11) = ( 0.0482142 0.1956746 -0.0000000), wk = 0.0021739 k( 12) = ( 0.0530356 0.2152421 -0.0000000), wk = 0.0021739 k( 13) = ( 0.0578571 0.2348095 -0.0000000), wk = 0.0021739 k( 14) = ( 0.0626785 0.2543770 -0.0000000), wk = 0.0021739 k( 15) = ( 0.0674999 0.2739445 -0.0000000), wk = 0.0021739 k( 16) = ( 0.0723213 0.2935119 -0.0000000), wk = 0.0021739 k( 17) = ( 0.0771428 0.3130794 -0.0000000), wk = 0.0021739 k( 18) = ( 0.0819642 0.3326468 -0.0000000), wk = 0.0021739 k( 19) = ( 0.0867856 0.3522143 -0.0000000), wk = 0.0021739 k( 20) = ( 0.0916070 0.3717818 -0.0000000), wk = 0.0021739 k( 21) = ( 0.0964284 0.3913492 -0.0000000), wk = 0.0021739 k( 22) = ( 0.1012499 0.4109167 -0.0000000), wk = 0.0021739 k( 23) = ( 0.1060713 0.4304842 -0.0000000), wk = 0.0021739 k( 24) = ( 0.1108927 0.4500516 -0.0000000), wk = 0.0021739 k( 25) = ( 0.1157141 0.4696191 -0.0000000), wk = 0.0021739 k( 26) = ( 0.1205356 0.4891865 -0.0000000), wk = 0.0021739 k( 27) = ( 0.1253570 0.5087540 -0.0000000), wk = 0.0021739 k( 28) = ( 0.1301784 0.5283215 -0.0000000), wk = 0.0021739 k( 29) = ( 0.1349998 0.5478889 -0.0000000), wk = 0.0021739 k( 30) = ( 0.1398213 0.5674564 -0.0000000), wk = 0.0021739 k( 31) = ( 0.1446427 0.5870239 -0.0000000), wk = 0.0021739 k( 32) = ( 0.1494641 0.6065913 -0.0000000), wk = 0.0021739 k( 33) = ( 0.1542855 0.6261588 -0.0000000), wk = 0.0021739 k( 34) = ( 0.1591069 0.6457262 -0.0000000), wk = 0.0021739 k( 35) = ( 0.1639284 0.6652937 -0.0000000), wk = 0.0021739 k( 36) = ( 0.1687498 0.6848612 -0.0000000), wk = 0.0021739 k( 37) = ( 0.1735712 0.7044286 -0.0000000), wk = 0.0021739 k( 38) = ( 0.1783926 0.7239961 -0.0000000), wk = 0.0021739 k( 39) = ( 0.1832141 0.7435636 -0.0000000), wk = 0.0021739 k( 40) = ( 0.1880355 0.7631310 -0.0000000), wk = 0.0021739 k( 41) = ( 0.1928569 0.7826985 -0.0000000), wk = 0.0021739 k( 42) = ( 0.1976783 0.8022659 -0.0000000), wk = 0.0021739 k( 43) = ( 0.2024998 0.8218334 -0.0000000), wk = 0.0021739 k( 44) = ( 0.2073212 0.8414009 -0.0000000), wk = 0.0021739 k( 45) = ( 0.2121426 0.8609683 -0.0000000), wk = 0.0021739 k( 46) = ( 0.2169640 0.8805358 -0.0000000), wk = 0.0021739 k( 47) = ( 0.2217854 0.9001032 -0.0000000), wk = 0.0021739 k( 48) = ( 0.2266069 0.9196707 -0.0000000), wk = 0.0021739 k( 49) = ( 0.2314283 0.9392381 -0.0000000), wk = 0.0021739 k( 50) = ( 0.2362497 0.9588056 -0.0000000), wk = 0.0021739 k( 51) = ( 0.2410711 0.9783731 -0.0000000), wk = 0.0021739 k( 52) = ( 0.2458925 0.9979405 -0.0000000), wk = 0.0021739 k( 53) = ( 0.2507140 1.0175080 -0.0000000), wk = 0.0021739 k( 54) = ( 0.2555354 1.0370754 -0.0000000), wk = 0.0021739 k( 55) = ( 0.2603568 1.0566429 -0.0000000), wk = 0.0021739 k( 56) = ( 0.2651782 1.0762104 -0.0000000), wk = 0.0021739 k( 57) = ( 0.2651782 1.0762104 -0.0000000), wk = 0.0021739 k( 58) = ( 0.2447799 1.0762104 -0.0000000), wk = 0.0021739 k( 59) = ( 0.2243816 1.0762104 -0.0000000), wk = 0.0021739 k( 60) = ( 0.2039833 1.0762104 -0.0000000), wk = 0.0021739 k( 61) = ( 0.1835849 1.0762104 -0.0000000), wk = 0.0021739 k( 62) = ( 0.1631866 1.0762104 -0.0000000), wk = 0.0021739 k( 63) = ( 0.1427883 1.0762104 -0.0000000), wk = 0.0021739 k( 64) = ( 0.1223900 1.0762104 -0.0000000), wk = 0.0021739 k( 65) = ( 0.1019916 1.0762104 -0.0000000), wk = 0.0021739 k( 66) = ( 0.0815933 1.0762104 -0.0000000), wk = 0.0021739 k( 67) = ( 0.0611950 1.0762104 -0.0000000), wk = 0.0021739 k( 68) = ( 0.0407966 1.0762104 -0.0000000), wk = 0.0021739 k( 69) = ( 0.0203983 1.0762104 -0.0000000), wk = 0.0021739 k( 70) = ( 0.0000000 1.0762104 -0.0000000), wk = 0.0021739 k( 71) = ( 0.0000000 1.0762104 -0.0000000), wk = 0.0021739 k( 72) = ( 0.0000000 1.0762104 0.0202840), wk = 0.0021739 k( 73) = ( 0.0000000 1.0762104 0.0405680), wk = 0.0021739 k( 74) = ( 0.0000000 1.0762104 0.0608521), wk = 0.0021739 k( 75) = ( 0.0000000 1.0762104 0.0811361), wk = 0.0021739 k( 76) = ( 0.0000000 1.0762104 0.1014201), wk = 0.0021739 k( 77) = ( 0.0000000 1.0762104 0.1217041), wk = 0.0021739 k( 78) = ( 0.0000000 1.0762104 0.1419882), wk = 0.0021739 k( 79) = ( 0.0000000 1.0762104 0.1622722), wk = 0.0021739 k( 80) = ( 0.0000000 1.0762104 0.1825562), wk = 0.0021739 k( 81) = ( 0.0000000 1.0762104 0.2028403), wk = 0.0021739 k( 82) = ( 0.0000000 1.0762104 0.2231243), wk = 0.0021739 k( 83) = ( 0.0000000 1.0762104 0.2434083), wk = 0.0021739 k( 84) = ( 0.0000000 1.0762104 0.2636923), wk = 0.0021739 k( 85) = ( 0.0000000 1.0762104 0.2839764), wk = 0.0021739 k( 86) = ( 0.0000000 1.0762104 0.3042604), wk = 0.0021739 k( 87) = ( 0.0000000 1.0762104 0.3245444), wk = 0.0021739 k( 88) = ( 0.0000000 1.0762104 0.3448284), wk = 0.0021739 k( 89) = ( 0.0000000 1.0762104 0.3651125), wk = 0.0021739 k( 90) = ( 0.0000000 1.0762104 0.3853965), wk = 0.0021739 k( 91) = ( 0.0000000 1.0762104 0.4056805), wk = 0.0021739 k( 92) = ( 0.0000000 1.0762104 0.4259645), wk = 0.0021739 k( 93) = ( 0.0000000 1.0762104 0.4462485), wk = 0.0021739 k( 94) = ( 0.0000000 1.0762104 0.4665326), wk = 0.0021739 k( 95) = ( 0.0000000 1.0762104 0.4868166), wk = 0.0021739 k( 96) = ( 0.0000000 1.0762104 0.5071006), wk = 0.0021739 k( 97) = ( 0.0000000 1.0762104 0.5273846), wk = 0.0021739 k( 98) = ( 0.0000000 1.0762104 0.5476687), wk = 0.0021739 k( 99) = ( 0.0000000 1.0762104 0.5679527), wk = 0.0021739 k( 100) = ( 0.0000000 1.0762104 0.5882367), wk = 0.0021739 k( 101) = ( 0.0000000 1.0762104 0.6085208), wk = 0.0021739 k( 102) = ( 0.0000000 1.0762104 0.6288048), wk = 0.0021739 k( 103) = ( 0.0000000 1.0762104 0.6490888), wk = 0.0021739 k( 104) = ( 0.0000000 1.0762104 0.6693728), wk = 0.0021739 k( 105) = ( 0.0000000 1.0762104 0.6896569), wk = 0.0021739 k( 106) = ( 0.0000000 1.0762104 0.7099409), wk = 0.0021739 k( 107) = ( 0.0000000 1.0762104 0.7302249), wk = 0.0021739 k( 108) = ( 0.0000000 1.0762104 0.7505089), wk = 0.0021739 k( 109) = ( 0.0000000 1.0762104 0.7707929), wk = 0.0021739 k( 110) = ( 0.0000000 1.0762104 0.7910770), wk = 0.0021739 k( 111) = ( 0.0000000 1.0762104 0.8113610), wk = 0.0021739 k( 112) = ( 0.0000000 1.0762104 0.8316450), wk = 0.0021739 k( 113) = ( 0.0000000 1.0762104 0.8316450), wk = 0.0021739 k( 114) = ( 0.0203983 1.0762104 0.8316450), wk = 0.0021739 k( 115) = ( 0.0407966 1.0762104 0.8316450), wk = 0.0021739 k( 116) = ( 0.0611950 1.0762104 0.8316450), wk = 0.0021739 k( 117) = ( 0.0815933 1.0762104 0.8316450), wk = 0.0021739 k( 118) = ( 0.1019916 1.0762104 0.8316450), wk = 0.0021739 k( 119) = ( 0.1223900 1.0762104 0.8316450), wk = 0.0021739 k( 120) = ( 0.1427883 1.0762104 0.8316450), wk = 0.0021739 k( 121) = ( 0.1631866 1.0762104 0.8316450), wk = 0.0021739 k( 122) = ( 0.1835849 1.0762104 0.8316450), wk = 0.0021739 k( 123) = ( 0.2039833 1.0762104 0.8316450), wk = 0.0021739 k( 124) = ( 0.2243816 1.0762104 0.8316450), wk = 0.0021739 k( 125) = ( 0.2447799 1.0762104 0.8316450), wk = 0.0021739 k( 126) = ( 0.2651782 1.0762104 0.8316450), wk = 0.0021739 k( 127) = ( 0.2651782 1.0762104 0.8316450), wk = 0.0021739 k( 128) = ( 0.2603568 1.0566429 0.8316450), wk = 0.0021739 k( 129) = ( 0.2555354 1.0370754 0.8316450), wk = 0.0021739 k( 130) = ( 0.2507140 1.0175080 0.8316450), wk = 0.0021739 k( 131) = ( 0.2458925 0.9979405 0.8316450), wk = 0.0021739 k( 132) = ( 0.2410711 0.9783731 0.8316450), wk = 0.0021739 k( 133) = ( 0.2362497 0.9588056 0.8316450), wk = 0.0021739 k( 134) = ( 0.2314283 0.9392381 0.8316450), wk = 0.0021739 k( 135) = ( 0.2266069 0.9196707 0.8316450), wk = 0.0021739 k( 136) = ( 0.2217854 0.9001032 0.8316450), wk = 0.0021739 k( 137) = ( 0.2169640 0.8805358 0.8316450), wk = 0.0021739 k( 138) = ( 0.2121426 0.8609683 0.8316450), wk = 0.0021739 k( 139) = ( 0.2073212 0.8414009 0.8316450), wk = 0.0021739 k( 140) = ( 0.2024998 0.8218334 0.8316450), wk = 0.0021739 k( 141) = ( 0.1976783 0.8022659 0.8316450), wk = 0.0021739 k( 142) = ( 0.1928569 0.7826985 0.8316450), wk = 0.0021739 k( 143) = ( 0.1880355 0.7631310 0.8316450), wk = 0.0021739 k( 144) = ( 0.1832141 0.7435636 0.8316450), wk = 0.0021739 k( 145) = ( 0.1783926 0.7239961 0.8316450), wk = 0.0021739 k( 146) = ( 0.1735712 0.7044286 0.8316450), wk = 0.0021739 k( 147) = ( 0.1687498 0.6848612 0.8316450), wk = 0.0021739 k( 148) = ( 0.1639284 0.6652937 0.8316450), wk = 0.0021739 k( 149) = ( 0.1591069 0.6457262 0.8316450), wk = 0.0021739 k( 150) = ( 0.1542855 0.6261588 0.8316450), wk = 0.0021739 k( 151) = ( 0.1494641 0.6065913 0.8316450), wk = 0.0021739 k( 152) = ( 0.1446427 0.5870239 0.8316450), wk = 0.0021739 k( 153) = ( 0.1398213 0.5674564 0.8316450), wk = 0.0021739 k( 154) = ( 0.1349998 0.5478889 0.8316450), wk = 0.0021739 k( 155) = ( 0.1301784 0.5283215 0.8316450), wk = 0.0021739 k( 156) = ( 0.1253570 0.5087540 0.8316450), wk = 0.0021739 k( 157) = ( 0.1205356 0.4891865 0.8316450), wk = 0.0021739 k( 158) = ( 0.1157141 0.4696191 0.8316450), wk = 0.0021739 k( 159) = ( 0.1108927 0.4500516 0.8316450), wk = 0.0021739 k( 160) = ( 0.1060713 0.4304842 0.8316450), wk = 0.0021739 k( 161) = ( 0.1012499 0.4109167 0.8316450), wk = 0.0021739 k( 162) = ( 0.0964284 0.3913492 0.8316450), wk = 0.0021739 k( 163) = ( 0.0916070 0.3717818 0.8316450), wk = 0.0021739 k( 164) = ( 0.0867856 0.3522143 0.8316450), wk = 0.0021739 k( 165) = ( 0.0819642 0.3326468 0.8316450), wk = 0.0021739 k( 166) = ( 0.0771428 0.3130794 0.8316450), wk = 0.0021739 k( 167) = ( 0.0723213 0.2935119 0.8316450), wk = 0.0021739 k( 168) = ( 0.0674999 0.2739445 0.8316450), wk = 0.0021739 k( 169) = ( 0.0626785 0.2543770 0.8316450), wk = 0.0021739 k( 170) = ( 0.0578571 0.2348095 0.8316450), wk = 0.0021739 k( 171) = ( 0.0530356 0.2152421 0.8316450), wk = 0.0021739 k( 172) = ( 0.0482142 0.1956746 0.8316450), wk = 0.0021739 k( 173) = ( 0.0433928 0.1761071 0.8316450), wk = 0.0021739 k( 174) = ( 0.0385714 0.1565397 0.8316450), wk = 0.0021739 k( 175) = ( 0.0337500 0.1369722 0.8316450), wk = 0.0021739 k( 176) = ( 0.0289285 0.1174048 0.8316450), wk = 0.0021739 k( 177) = ( 0.0241071 0.0978373 0.8316450), wk = 0.0021739 k( 178) = ( 0.0192857 0.0782698 0.8316450), wk = 0.0021739 k( 179) = ( 0.0144643 0.0587024 0.8316450), wk = 0.0021739 k( 180) = ( 0.0096428 0.0391349 0.8316450), wk = 0.0021739 k( 181) = ( 0.0048214 0.0195675 0.8316450), wk = 0.0021739 k( 182) = ( 0.0000000 0.0000000 0.8316450), wk = 0.0021739 k( 183) = ( 0.0000000 0.0000000 0.8316450), wk = 0.0021739 k( 184) = ( 0.0000000 0.0000000 0.8113610), wk = 0.0021739 k( 185) = ( 0.0000000 0.0000000 0.7910770), wk = 0.0021739 k( 186) = ( 0.0000000 0.0000000 0.7707929), wk = 0.0021739 k( 187) = ( 0.0000000 0.0000000 0.7505089), wk = 0.0021739 k( 188) = ( 0.0000000 0.0000000 0.7302249), wk = 0.0021739 k( 189) = ( 0.0000000 0.0000000 0.7099409), wk = 0.0021739 k( 190) = ( 0.0000000 0.0000000 0.6896569), wk = 0.0021739 k( 191) = ( 0.0000000 0.0000000 0.6693728), wk = 0.0021739 k( 192) = ( 0.0000000 0.0000000 0.6490888), wk = 0.0021739 k( 193) = ( 0.0000000 0.0000000 0.6288048), wk = 0.0021739 k( 194) = ( 0.0000000 0.0000000 0.6085208), wk = 0.0021739 k( 195) = ( 0.0000000 0.0000000 0.5882367), wk = 0.0021739 k( 196) = ( 0.0000000 0.0000000 0.5679527), wk = 0.0021739 k( 197) = ( 0.0000000 0.0000000 0.5476687), wk = 0.0021739 k( 198) = ( 0.0000000 0.0000000 0.5273846), wk = 0.0021739 k( 199) = ( 0.0000000 0.0000000 0.5071006), wk = 0.0021739 k( 200) = ( 0.0000000 0.0000000 0.4868166), wk = 0.0021739 k( 201) = ( 0.0000000 0.0000000 0.4665326), wk = 0.0021739 k( 202) = ( 0.0000000 0.0000000 0.4462485), wk = 0.0021739 k( 203) = ( 0.0000000 0.0000000 0.4259645), wk = 0.0021739 k( 204) = ( 0.0000000 0.0000000 0.4056805), wk = 0.0021739 k( 205) = ( 0.0000000 0.0000000 0.3853965), wk = 0.0021739 k( 206) = ( 0.0000000 0.0000000 0.3651125), wk = 0.0021739 k( 207) = ( 0.0000000 0.0000000 0.3448284), wk = 0.0021739 k( 208) = ( 0.0000000 0.0000000 0.3245444), wk = 0.0021739 k( 209) = ( 0.0000000 0.0000000 0.3042604), wk = 0.0021739 k( 210) = ( 0.0000000 0.0000000 0.2839764), wk = 0.0021739 k( 211) = ( 0.0000000 0.0000000 0.2636923), wk = 0.0021739 k( 212) = ( 0.0000000 0.0000000 0.2434083), wk = 0.0021739 k( 213) = ( 0.0000000 0.0000000 0.2231243), wk = 0.0021739 k( 214) = ( 0.0000000 0.0000000 0.2028403), wk = 0.0021739 k( 215) = ( 0.0000000 0.0000000 0.1825562), wk = 0.0021739 k( 216) = ( 0.0000000 0.0000000 0.1622722), wk = 0.0021739 k( 217) = ( 0.0000000 0.0000000 0.1419882), wk = 0.0021739 k( 218) = ( 0.0000000 0.0000000 0.1217041), wk = 0.0021739 k( 219) = ( 0.0000000 0.0000000 0.1014201), wk = 0.0021739 k( 220) = ( 0.0000000 0.0000000 0.0811361), wk = 0.0021739 k( 221) = ( 0.0000000 0.0000000 0.0608521), wk = 0.0021739 k( 222) = ( 0.0000000 0.0000000 0.0405680), wk = 0.0021739 k( 223) = ( 0.0000000 0.0000000 0.0202840), wk = 0.0021739 k( 224) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 225) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 226) = ( -0.0192308 0.0047385 0.0000000), wk = 0.0021739 k( 227) = ( -0.0384615 0.0094769 0.0000000), wk = 0.0021739 k( 228) = ( -0.0576923 0.0142154 0.0000000), wk = 0.0021739 k( 229) = ( -0.0769231 0.0189538 0.0000000), wk = 0.0021739 k( 230) = ( -0.0961538 0.0236923 0.0000000), wk = 0.0021739 k( 231) = ( -0.1153846 0.0284308 0.0000000), wk = 0.0021739 k( 232) = ( -0.1346154 0.0331692 0.0000000), wk = 0.0021739 k( 233) = ( -0.1538461 0.0379077 0.0000000), wk = 0.0021739 k( 234) = ( -0.1730769 0.0426462 0.0000000), wk = 0.0021739 k( 235) = ( -0.1923077 0.0473846 0.0000000), wk = 0.0021739 k( 236) = ( -0.2115385 0.0521231 0.0000000), wk = 0.0021739 k( 237) = ( -0.2307692 0.0568615 0.0000000), wk = 0.0021739 k( 238) = ( -0.2500000 0.0616000 0.0000000), wk = 0.0021739 k( 239) = ( -0.2692308 0.0663385 0.0000000), wk = 0.0021739 k( 240) = ( -0.2884615 0.0710769 0.0000000), wk = 0.0021739 k( 241) = ( -0.3076923 0.0758154 0.0000000), wk = 0.0021739 k( 242) = ( -0.3269231 0.0805538 0.0000000), wk = 0.0021739 k( 243) = ( -0.3461538 0.0852923 0.0000000), wk = 0.0021739 k( 244) = ( -0.3653846 0.0900308 0.0000000), wk = 0.0021739 k( 245) = ( -0.3846154 0.0947692 0.0000000), wk = 0.0021739 k( 246) = ( -0.4038462 0.0995077 0.0000000), wk = 0.0021739 k( 247) = ( -0.4230769 0.1042462 0.0000000), wk = 0.0021739 k( 248) = ( -0.4423077 0.1089846 0.0000000), wk = 0.0021739 k( 249) = ( -0.4615385 0.1137231 0.0000000), wk = 0.0021739 k( 250) = ( -0.4807692 0.1184615 0.0000000), wk = 0.0021739 k( 251) = ( -0.5000000 0.1232000 0.0000000), wk = 0.0021739 k( 252) = ( -0.5000000 0.1232000 0.0000000), wk = 0.0021739 k( 253) = ( -0.4951079 0.1430544 -0.0000000), wk = 0.0021739 k( 254) = ( -0.4902158 0.1629088 -0.0000000), wk = 0.0021739 k( 255) = ( -0.4853236 0.1827631 -0.0000000), wk = 0.0021739 k( 256) = ( -0.4804315 0.2026175 -0.0000000), wk = 0.0021739 k( 257) = ( -0.4755394 0.2224719 -0.0000000), wk = 0.0021739 k( 258) = ( -0.4706473 0.2423263 -0.0000000), wk = 0.0021739 k( 259) = ( -0.4657552 0.2621807 -0.0000000), wk = 0.0021739 k( 260) = ( -0.4608630 0.2820351 -0.0000000), wk = 0.0021739 k( 261) = ( -0.4559709 0.3018894 -0.0000000), wk = 0.0021739 k( 262) = ( -0.4510788 0.3217438 -0.0000000), wk = 0.0021739 k( 263) = ( -0.4461867 0.3415982 -0.0000000), wk = 0.0021739 k( 264) = ( -0.4412946 0.3614526 -0.0000000), wk = 0.0021739 k( 265) = ( -0.4364024 0.3813070 -0.0000000), wk = 0.0021739 k( 266) = ( -0.4315103 0.4011614 -0.0000000), wk = 0.0021739 k( 267) = ( -0.4266182 0.4210157 -0.0000000), wk = 0.0021739 k( 268) = ( -0.4217261 0.4408701 -0.0000000), wk = 0.0021739 k( 269) = ( -0.4168340 0.4607245 -0.0000000), wk = 0.0021739 k( 270) = ( -0.4119418 0.4805789 -0.0000000), wk = 0.0021739 k( 271) = ( -0.4070497 0.5004333 -0.0000000), wk = 0.0021739 k( 272) = ( -0.4021576 0.5202877 -0.0000000), wk = 0.0021739 k( 273) = ( -0.3972655 0.5401420 -0.0000000), wk = 0.0021739 k( 274) = ( -0.3923734 0.5599964 -0.0000000), wk = 0.0021739 k( 275) = ( -0.3874812 0.5798508 -0.0000000), wk = 0.0021739 k( 276) = ( -0.3825891 0.5997052 -0.0000000), wk = 0.0021739 k( 277) = ( -0.3776970 0.6195596 -0.0000000), wk = 0.0021739 k( 278) = ( -0.3728049 0.6394140 -0.0000000), wk = 0.0021739 k( 279) = ( -0.3679128 0.6592683 -0.0000000), wk = 0.0021739 k( 280) = ( -0.3630206 0.6791227 -0.0000000), wk = 0.0021739 k( 281) = ( -0.3581285 0.6989771 -0.0000000), wk = 0.0021739 k( 282) = ( -0.3532364 0.7188315 -0.0000000), wk = 0.0021739 k( 283) = ( -0.3483443 0.7386859 -0.0000000), wk = 0.0021739 k( 284) = ( -0.3434522 0.7585403 -0.0000000), wk = 0.0021739 k( 285) = ( -0.3385600 0.7783946 -0.0000000), wk = 0.0021739 k( 286) = ( -0.3336679 0.7982490 -0.0000000), wk = 0.0021739 k( 287) = ( -0.3287758 0.8181034 -0.0000000), wk = 0.0021739 k( 288) = ( -0.3238837 0.8379578 -0.0000000), wk = 0.0021739 k( 289) = ( -0.3189916 0.8578122 -0.0000000), wk = 0.0021739 k( 290) = ( -0.3140994 0.8776666 -0.0000000), wk = 0.0021739 k( 291) = ( -0.3092073 0.8975209 -0.0000000), wk = 0.0021739 k( 292) = ( -0.3043152 0.9173753 -0.0000000), wk = 0.0021739 k( 293) = ( -0.2994231 0.9372297 -0.0000000), wk = 0.0021739 k( 294) = ( -0.2945310 0.9570841 -0.0000000), wk = 0.0021739 k( 295) = ( -0.2896388 0.9769385 -0.0000000), wk = 0.0021739 k( 296) = ( -0.2847467 0.9967929 -0.0000000), wk = 0.0021739 k( 297) = ( -0.2798546 1.0166472 -0.0000000), wk = 0.0021739 k( 298) = ( -0.2749625 1.0365016 -0.0000000), wk = 0.0021739 k( 299) = ( -0.2700704 1.0563560 -0.0000000), wk = 0.0021739 k( 300) = ( -0.2651782 1.0762104 -0.0000000), wk = 0.0021739 k( 301) = ( -0.2651782 1.0762104 -0.0000000), wk = 0.0021739 k( 302) = ( -0.2651782 1.0762104 0.0202840), wk = 0.0021739 k( 303) = ( -0.2651782 1.0762104 0.0405680), wk = 0.0021739 k( 304) = ( -0.2651782 1.0762104 0.0608521), wk = 0.0021739 k( 305) = ( -0.2651782 1.0762104 0.0811361), wk = 0.0021739 k( 306) = ( -0.2651782 1.0762104 0.1014201), wk = 0.0021739 k( 307) = ( -0.2651782 1.0762104 0.1217041), wk = 0.0021739 k( 308) = ( -0.2651782 1.0762104 0.1419882), wk = 0.0021739 k( 309) = ( -0.2651782 1.0762104 0.1622722), wk = 0.0021739 k( 310) = ( -0.2651782 1.0762104 0.1825562), wk = 0.0021739 k( 311) = ( -0.2651782 1.0762104 0.2028403), wk = 0.0021739 k( 312) = ( -0.2651782 1.0762104 0.2231243), wk = 0.0021739 k( 313) = ( -0.2651782 1.0762104 0.2434083), wk = 0.0021739 k( 314) = ( -0.2651782 1.0762104 0.2636923), wk = 0.0021739 k( 315) = ( -0.2651782 1.0762104 0.2839764), wk = 0.0021739 k( 316) = ( -0.2651782 1.0762104 0.3042604), wk = 0.0021739 k( 317) = ( -0.2651782 1.0762104 0.3245444), wk = 0.0021739 k( 318) = ( -0.2651782 1.0762104 0.3448284), wk = 0.0021739 k( 319) = ( -0.2651782 1.0762104 0.3651125), wk = 0.0021739 k( 320) = ( -0.2651782 1.0762104 0.3853965), wk = 0.0021739 k( 321) = ( -0.2651782 1.0762104 0.4056805), wk = 0.0021739 k( 322) = ( -0.2651782 1.0762104 0.4259645), wk = 0.0021739 k( 323) = ( -0.2651782 1.0762104 0.4462485), wk = 0.0021739 k( 324) = ( -0.2651782 1.0762104 0.4665326), wk = 0.0021739 k( 325) = ( -0.2651782 1.0762104 0.4868166), wk = 0.0021739 k( 326) = ( -0.2651782 1.0762104 0.5071006), wk = 0.0021739 k( 327) = ( -0.2651782 1.0762104 0.5273846), wk = 0.0021739 k( 328) = ( -0.2651782 1.0762104 0.5476687), wk = 0.0021739 k( 329) = ( -0.2651782 1.0762104 0.5679527), wk = 0.0021739 k( 330) = ( -0.2651782 1.0762104 0.5882367), wk = 0.0021739 k( 331) = ( -0.2651782 1.0762104 0.6085208), wk = 0.0021739 k( 332) = ( -0.2651782 1.0762104 0.6288048), wk = 0.0021739 k( 333) = ( -0.2651782 1.0762104 0.6490888), wk = 0.0021739 k( 334) = ( -0.2651782 1.0762104 0.6693728), wk = 0.0021739 k( 335) = ( -0.2651782 1.0762104 0.6896569), wk = 0.0021739 k( 336) = ( -0.2651782 1.0762104 0.7099409), wk = 0.0021739 k( 337) = ( -0.2651782 1.0762104 0.7302249), wk = 0.0021739 k( 338) = ( -0.2651782 1.0762104 0.7505089), wk = 0.0021739 k( 339) = ( -0.2651782 1.0762104 0.7707929), wk = 0.0021739 k( 340) = ( -0.2651782 1.0762104 0.7910770), wk = 0.0021739 k( 341) = ( -0.2651782 1.0762104 0.8113610), wk = 0.0021739 k( 342) = ( -0.2651782 1.0762104 0.8316450), wk = 0.0021739 k( 343) = ( -0.2651782 1.0762104 0.8316450), wk = 0.0021739 k( 344) = ( -0.2700704 1.0563560 0.8316450), wk = 0.0021739 k( 345) = ( -0.2749625 1.0365016 0.8316450), wk = 0.0021739 k( 346) = ( -0.2798546 1.0166472 0.8316450), wk = 0.0021739 k( 347) = ( -0.2847467 0.9967929 0.8316450), wk = 0.0021739 k( 348) = ( -0.2896388 0.9769385 0.8316450), wk = 0.0021739 k( 349) = ( -0.2945310 0.9570841 0.8316450), wk = 0.0021739 k( 350) = ( -0.2994231 0.9372297 0.8316450), wk = 0.0021739 k( 351) = ( -0.3043152 0.9173753 0.8316450), wk = 0.0021739 k( 352) = ( -0.3092073 0.8975209 0.8316450), wk = 0.0021739 k( 353) = ( -0.3140994 0.8776666 0.8316450), wk = 0.0021739 k( 354) = ( -0.3189916 0.8578122 0.8316450), wk = 0.0021739 k( 355) = ( -0.3238837 0.8379578 0.8316450), wk = 0.0021739 k( 356) = ( -0.3287758 0.8181034 0.8316450), wk = 0.0021739 k( 357) = ( -0.3336679 0.7982490 0.8316450), wk = 0.0021739 k( 358) = ( -0.3385600 0.7783946 0.8316450), wk = 0.0021739 k( 359) = ( -0.3434522 0.7585403 0.8316450), wk = 0.0021739 k( 360) = ( -0.3483443 0.7386859 0.8316450), wk = 0.0021739 k( 361) = ( -0.3532364 0.7188315 0.8316450), wk = 0.0021739 k( 362) = ( -0.3581285 0.6989771 0.8316450), wk = 0.0021739 k( 363) = ( -0.3630206 0.6791227 0.8316450), wk = 0.0021739 k( 364) = ( -0.3679128 0.6592683 0.8316450), wk = 0.0021739 k( 365) = ( -0.3728049 0.6394140 0.8316450), wk = 0.0021739 k( 366) = ( -0.3776970 0.6195596 0.8316450), wk = 0.0021739 k( 367) = ( -0.3825891 0.5997052 0.8316450), wk = 0.0021739 k( 368) = ( -0.3874812 0.5798508 0.8316450), wk = 0.0021739 k( 369) = ( -0.3923734 0.5599964 0.8316450), wk = 0.0021739 k( 370) = ( -0.3972655 0.5401420 0.8316450), wk = 0.0021739 k( 371) = ( -0.4021576 0.5202877 0.8316450), wk = 0.0021739 k( 372) = ( -0.4070497 0.5004333 0.8316450), wk = 0.0021739 k( 373) = ( -0.4119418 0.4805789 0.8316450), wk = 0.0021739 k( 374) = ( -0.4168340 0.4607245 0.8316450), wk = 0.0021739 k( 375) = ( -0.4217261 0.4408701 0.8316450), wk = 0.0021739 k( 376) = ( -0.4266182 0.4210157 0.8316450), wk = 0.0021739 k( 377) = ( -0.4315103 0.4011614 0.8316450), wk = 0.0021739 k( 378) = ( -0.4364024 0.3813070 0.8316450), wk = 0.0021739 k( 379) = ( -0.4412946 0.3614526 0.8316450), wk = 0.0021739 k( 380) = ( -0.4461867 0.3415982 0.8316450), wk = 0.0021739 k( 381) = ( -0.4510788 0.3217438 0.8316450), wk = 0.0021739 k( 382) = ( -0.4559709 0.3018894 0.8316450), wk = 0.0021739 k( 383) = ( -0.4608630 0.2820351 0.8316450), wk = 0.0021739 k( 384) = ( -0.4657552 0.2621807 0.8316450), wk = 0.0021739 k( 385) = ( -0.4706473 0.2423263 0.8316450), wk = 0.0021739 k( 386) = ( -0.4755394 0.2224719 0.8316450), wk = 0.0021739 k( 387) = ( -0.4804315 0.2026175 0.8316450), wk = 0.0021739 k( 388) = ( -0.4853236 0.1827631 0.8316450), wk = 0.0021739 k( 389) = ( -0.4902158 0.1629088 0.8316450), wk = 0.0021739 k( 390) = ( -0.4951079 0.1430544 0.8316450), wk = 0.0021739 k( 391) = ( -0.5000000 0.1232000 0.8316450), wk = 0.0021739 k( 392) = ( -0.5000000 0.1232000 0.8316450), wk = 0.0021739 k( 393) = ( -0.5000000 0.1232000 0.8113610), wk = 0.0021739 k( 394) = ( -0.5000000 0.1232000 0.7910770), wk = 0.0021739 k( 395) = ( -0.5000000 0.1232000 0.7707929), wk = 0.0021739 k( 396) = ( -0.5000000 0.1232000 0.7505089), wk = 0.0021739 k( 397) = ( -0.5000000 0.1232000 0.7302249), wk = 0.0021739 k( 398) = ( -0.5000000 0.1232000 0.7099409), wk = 0.0021739 k( 399) = ( -0.5000000 0.1232000 0.6896569), wk = 0.0021739 k( 400) = ( -0.5000000 0.1232000 0.6693728), wk = 0.0021739 k( 401) = ( -0.5000000 0.1232000 0.6490888), wk = 0.0021739 k( 402) = ( -0.5000000 0.1232000 0.6288048), wk = 0.0021739 k( 403) = ( -0.5000000 0.1232000 0.6085208), wk = 0.0021739 k( 404) = ( -0.5000000 0.1232000 0.5882367), wk = 0.0021739 k( 405) = ( -0.5000000 0.1232000 0.5679527), wk = 0.0021739 k( 406) = ( -0.5000000 0.1232000 0.5476687), wk = 0.0021739 k( 407) = ( -0.5000000 0.1232000 0.5273846), wk = 0.0021739 k( 408) = ( -0.5000000 0.1232000 0.5071006), wk = 0.0021739 k( 409) = ( -0.5000000 0.1232000 0.4868166), wk = 0.0021739 k( 410) = ( -0.5000000 0.1232000 0.4665326), wk = 0.0021739 k( 411) = ( -0.5000000 0.1232000 0.4462485), wk = 0.0021739 k( 412) = ( -0.5000000 0.1232000 0.4259645), wk = 0.0021739 k( 413) = ( -0.5000000 0.1232000 0.4056805), wk = 0.0021739 k( 414) = ( -0.5000000 0.1232000 0.3853965), wk = 0.0021739 k( 415) = ( -0.5000000 0.1232000 0.3651125), wk = 0.0021739 k( 416) = ( -0.5000000 0.1232000 0.3448284), wk = 0.0021739 k( 417) = ( -0.5000000 0.1232000 0.3245444), wk = 0.0021739 k( 418) = ( -0.5000000 0.1232000 0.3042604), wk = 0.0021739 k( 419) = ( -0.5000000 0.1232000 0.2839764), wk = 0.0021739 k( 420) = ( -0.5000000 0.1232000 0.2636923), wk = 0.0021739 k( 421) = ( -0.5000000 0.1232000 0.2434083), wk = 0.0021739 k( 422) = ( -0.5000000 0.1232000 0.2231243), wk = 0.0021739 k( 423) = ( -0.5000000 0.1232000 0.2028403), wk = 0.0021739 k( 424) = ( -0.5000000 0.1232000 0.1825562), wk = 0.0021739 k( 425) = ( -0.5000000 0.1232000 0.1622722), wk = 0.0021739 k( 426) = ( -0.5000000 0.1232000 0.1419882), wk = 0.0021739 k( 427) = ( -0.5000000 0.1232000 0.1217041), wk = 0.0021739 k( 428) = ( -0.5000000 0.1232000 0.1014201), wk = 0.0021739 k( 429) = ( -0.5000000 0.1232000 0.0811361), wk = 0.0021739 k( 430) = ( -0.5000000 0.1232000 0.0608521), wk = 0.0021739 k( 431) = ( -0.5000000 0.1232000 0.0405680), wk = 0.0021739 k( 432) = ( -0.5000000 0.1232000 0.0202840), wk = 0.0021739 k( 433) = ( -0.5000000 0.1232000 0.0000000), wk = 0.0021739 k( 434) = ( 0.0000000 0.0000000 0.8316450), wk = 0.0021739 k( 435) = ( -0.0192308 0.0047385 0.8316450), wk = 0.0021739 k( 436) = ( -0.0384615 0.0094769 0.8316450), wk = 0.0021739 k( 437) = ( -0.0576923 0.0142154 0.8316450), wk = 0.0021739 k( 438) = ( -0.0769231 0.0189538 0.8316450), wk = 0.0021739 k( 439) = ( -0.0961538 0.0236923 0.8316450), wk = 0.0021739 k( 440) = ( -0.1153846 0.0284308 0.8316450), wk = 0.0021739 k( 441) = ( -0.1346154 0.0331692 0.8316450), wk = 0.0021739 k( 442) = ( -0.1538461 0.0379077 0.8316450), wk = 0.0021739 k( 443) = ( -0.1730769 0.0426462 0.8316450), wk = 0.0021739 k( 444) = ( -0.1923077 0.0473846 0.8316450), wk = 0.0021739 k( 445) = ( -0.2115385 0.0521231 0.8316450), wk = 0.0021739 k( 446) = ( -0.2307692 0.0568615 0.8316450), wk = 0.0021739 k( 447) = ( -0.2500000 0.0616000 0.8316450), wk = 0.0021739 k( 448) = ( -0.2692308 0.0663385 0.8316450), wk = 0.0021739 k( 449) = ( -0.2884615 0.0710769 0.8316450), wk = 0.0021739 k( 450) = ( -0.3076923 0.0758154 0.8316450), wk = 0.0021739 k( 451) = ( -0.3269231 0.0805538 0.8316450), wk = 0.0021739 k( 452) = ( -0.3461538 0.0852923 0.8316450), wk = 0.0021739 k( 453) = ( -0.3653846 0.0900308 0.8316450), wk = 0.0021739 k( 454) = ( -0.3846154 0.0947692 0.8316450), wk = 0.0021739 k( 455) = ( -0.4038462 0.0995077 0.8316450), wk = 0.0021739 k( 456) = ( -0.4230769 0.1042462 0.8316450), wk = 0.0021739 k( 457) = ( -0.4423077 0.1089846 0.8316450), wk = 0.0021739 k( 458) = ( -0.4615385 0.1137231 0.8316450), wk = 0.0021739 k( 459) = ( -0.4807692 0.1184615 0.8316450), wk = 0.0021739 k( 460) = ( -0.5000000 0.1232000 0.8316450), wk = 0.0021739 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 2) = ( 0.0048214 0.0048214 0.0000000), wk = 0.0021739 k( 3) = ( 0.0096428 0.0096428 -0.0000000), wk = 0.0021739 k( 4) = ( 0.0144643 0.0144643 -0.0000000), wk = 0.0021739 k( 5) = ( 0.0192857 0.0192857 -0.0000000), wk = 0.0021739 k( 6) = ( 0.0241071 0.0241071 -0.0000000), wk = 0.0021739 k( 7) = ( 0.0289285 0.0289285 -0.0000000), wk = 0.0021739 k( 8) = ( 0.0337500 0.0337500 -0.0000000), wk = 0.0021739 k( 9) = ( 0.0385714 0.0385714 -0.0000000), wk = 0.0021739 k( 10) = ( 0.0433928 0.0433928 -0.0000000), wk = 0.0021739 k( 11) = ( 0.0482142 0.0482142 0.0000000), wk = 0.0021739 k( 12) = ( 0.0530356 0.0530356 0.0000000), wk = 0.0021739 k( 13) = ( 0.0578571 0.0578571 -0.0000000), wk = 0.0021739 k( 14) = ( 0.0626785 0.0626785 -0.0000000), wk = 0.0021739 k( 15) = ( 0.0674999 0.0674999 -0.0000000), wk = 0.0021739 k( 16) = ( 0.0723213 0.0723213 0.0000000), wk = 0.0021739 k( 17) = ( 0.0771428 0.0771428 -0.0000000), wk = 0.0021739 k( 18) = ( 0.0819642 0.0819642 0.0000000), wk = 0.0021739 k( 19) = ( 0.0867856 0.0867856 -0.0000000), wk = 0.0021739 k( 20) = ( 0.0916070 0.0916070 -0.0000000), wk = 0.0021739 k( 21) = ( 0.0964284 0.0964284 -0.0000000), wk = 0.0021739 k( 22) = ( 0.1012499 0.1012499 -0.0000000), wk = 0.0021739 k( 23) = ( 0.1060713 0.1060713 0.0000000), wk = 0.0021739 k( 24) = ( 0.1108927 0.1108927 0.0000000), wk = 0.0021739 k( 25) = ( 0.1157141 0.1157141 -0.0000000), wk = 0.0021739 k( 26) = ( 0.1205356 0.1205356 0.0000000), wk = 0.0021739 k( 27) = ( 0.1253570 0.1253570 0.0000000), wk = 0.0021739 k( 28) = ( 0.1301784 0.1301784 0.0000000), wk = 0.0021739 k( 29) = ( 0.1349998 0.1349998 -0.0000000), wk = 0.0021739 k( 30) = ( 0.1398213 0.1398212 -0.0000000), wk = 0.0021739 k( 31) = ( 0.1446427 0.1446427 0.0000000), wk = 0.0021739 k( 32) = ( 0.1494641 0.1494641 -0.0000000), wk = 0.0021739 k( 33) = ( 0.1542855 0.1542855 -0.0000000), wk = 0.0021739 k( 34) = ( 0.1591069 0.1591069 0.0000000), wk = 0.0021739 k( 35) = ( 0.1639284 0.1639284 -0.0000000), wk = 0.0021739 k( 36) = ( 0.1687498 0.1687498 -0.0000000), wk = 0.0021739 k( 37) = ( 0.1735712 0.1735712 0.0000000), wk = 0.0021739 k( 38) = ( 0.1783926 0.1783926 0.0000000), wk = 0.0021739 k( 39) = ( 0.1832141 0.1832141 -0.0000000), wk = 0.0021739 k( 40) = ( 0.1880355 0.1880355 -0.0000000), wk = 0.0021739 k( 41) = ( 0.1928569 0.1928569 -0.0000000), wk = 0.0021739 k( 42) = ( 0.1976783 0.1976783 -0.0000000), wk = 0.0021739 k( 43) = ( 0.2024998 0.2024997 0.0000000), wk = 0.0021739 k( 44) = ( 0.2073212 0.2073212 -0.0000000), wk = 0.0021739 k( 45) = ( 0.2121426 0.2121426 -0.0000000), wk = 0.0021739 k( 46) = ( 0.2169640 0.2169640 -0.0000000), wk = 0.0021739 k( 47) = ( 0.2217854 0.2217854 0.0000000), wk = 0.0021739 k( 48) = ( 0.2266069 0.2266069 0.0000000), wk = 0.0021739 k( 49) = ( 0.2314283 0.2314283 -0.0000000), wk = 0.0021739 k( 50) = ( 0.2362497 0.2362497 -0.0000000), wk = 0.0021739 k( 51) = ( 0.2410711 0.2410711 -0.0000000), wk = 0.0021739 k( 52) = ( 0.2458925 0.2458925 0.0000000), wk = 0.0021739 k( 53) = ( 0.2507140 0.2507140 -0.0000000), wk = 0.0021739 k( 54) = ( 0.2555354 0.2555354 0.0000000), wk = 0.0021739 k( 55) = ( 0.2603568 0.2603568 0.0000000), wk = 0.0021739 k( 56) = ( 0.2651782 0.2651782 -0.0000000), wk = 0.0021739 k( 57) = ( 0.2651782 0.2651782 -0.0000000), wk = 0.0021739 k( 58) = ( 0.2447799 0.2832414 0.0000000), wk = 0.0021739 k( 59) = ( 0.2243816 0.3013047 -0.0000000), wk = 0.0021739 k( 60) = ( 0.2039833 0.3193679 -0.0000000), wk = 0.0021739 k( 61) = ( 0.1835849 0.3374311 0.0000000), wk = 0.0021739 k( 62) = ( 0.1631866 0.3554943 -0.0000000), wk = 0.0021739 k( 63) = ( 0.1427883 0.3735575 -0.0000000), wk = 0.0021739 k( 64) = ( 0.1223900 0.3916207 -0.0000000), wk = 0.0021739 k( 65) = ( 0.1019916 0.4096839 -0.0000000), wk = 0.0021739 k( 66) = ( 0.0815933 0.4277471 0.0000000), wk = 0.0021739 k( 67) = ( 0.0611950 0.4458104 -0.0000000), wk = 0.0021739 k( 68) = ( 0.0407966 0.4638736 -0.0000000), wk = 0.0021739 k( 69) = ( 0.0203983 0.4819368 0.0000000), wk = 0.0021739 k( 70) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0021739 k( 71) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0021739 k( 72) = ( 0.0000000 0.5000000 0.0121951), wk = 0.0021739 k( 73) = ( 0.0000000 0.5000000 0.0243902), wk = 0.0021739 k( 74) = ( 0.0000000 0.5000000 0.0365854), wk = 0.0021739 k( 75) = ( 0.0000000 0.5000000 0.0487805), wk = 0.0021739 k( 76) = ( 0.0000000 0.5000000 0.0609756), wk = 0.0021739 k( 77) = ( 0.0000000 0.5000000 0.0731707), wk = 0.0021739 k( 78) = ( 0.0000000 0.5000000 0.0853658), wk = 0.0021739 k( 79) = ( 0.0000000 0.5000000 0.0975610), wk = 0.0021739 k( 80) = ( 0.0000000 0.5000000 0.1097561), wk = 0.0021739 k( 81) = ( 0.0000000 0.5000000 0.1219512), wk = 0.0021739 k( 82) = ( 0.0000000 0.5000000 0.1341463), wk = 0.0021739 k( 83) = ( 0.0000000 0.5000000 0.1463415), wk = 0.0021739 k( 84) = ( 0.0000000 0.5000000 0.1585366), wk = 0.0021739 k( 85) = ( 0.0000000 0.5000000 0.1707317), wk = 0.0021739 k( 86) = ( 0.0000000 0.5000000 0.1829268), wk = 0.0021739 k( 87) = ( 0.0000000 0.5000000 0.1951219), wk = 0.0021739 k( 88) = ( 0.0000000 0.5000000 0.2073171), wk = 0.0021739 k( 89) = ( 0.0000000 0.5000000 0.2195122), wk = 0.0021739 k( 90) = ( 0.0000000 0.5000000 0.2317073), wk = 0.0021739 k( 91) = ( 0.0000000 0.5000000 0.2439024), wk = 0.0021739 k( 92) = ( 0.0000000 0.5000000 0.2560976), wk = 0.0021739 k( 93) = ( 0.0000000 0.5000000 0.2682927), wk = 0.0021739 k( 94) = ( 0.0000000 0.5000000 0.2804878), wk = 0.0021739 k( 95) = ( 0.0000000 0.5000000 0.2926829), wk = 0.0021739 k( 96) = ( 0.0000000 0.5000000 0.3048781), wk = 0.0021739 k( 97) = ( 0.0000000 0.5000000 0.3170732), wk = 0.0021739 k( 98) = ( 0.0000000 0.5000000 0.3292683), wk = 0.0021739 k( 99) = ( 0.0000000 0.5000000 0.3414634), wk = 0.0021739 k( 100) = ( 0.0000000 0.5000000 0.3536585), wk = 0.0021739 k( 101) = ( 0.0000000 0.5000000 0.3658537), wk = 0.0021739 k( 102) = ( 0.0000000 0.5000000 0.3780488), wk = 0.0021739 k( 103) = ( 0.0000000 0.5000000 0.3902439), wk = 0.0021739 k( 104) = ( 0.0000000 0.5000000 0.4024390), wk = 0.0021739 k( 105) = ( 0.0000000 0.5000000 0.4146341), wk = 0.0021739 k( 106) = ( 0.0000000 0.5000000 0.4268293), wk = 0.0021739 k( 107) = ( 0.0000000 0.5000000 0.4390244), wk = 0.0021739 k( 108) = ( 0.0000000 0.5000000 0.4512195), wk = 0.0021739 k( 109) = ( 0.0000000 0.5000000 0.4634146), wk = 0.0021739 k( 110) = ( 0.0000000 0.5000000 0.4756098), wk = 0.0021739 k( 111) = ( 0.0000000 0.5000000 0.4878049), wk = 0.0021739 k( 112) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021739 k( 113) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021739 k( 114) = ( 0.0203983 0.4819368 0.5000000), wk = 0.0021739 k( 115) = ( 0.0407966 0.4638736 0.5000000), wk = 0.0021739 k( 116) = ( 0.0611950 0.4458104 0.5000000), wk = 0.0021739 k( 117) = ( 0.0815933 0.4277471 0.5000000), wk = 0.0021739 k( 118) = ( 0.1019916 0.4096839 0.5000000), wk = 0.0021739 k( 119) = ( 0.1223900 0.3916207 0.5000000), wk = 0.0021739 k( 120) = ( 0.1427883 0.3735575 0.5000000), wk = 0.0021739 k( 121) = ( 0.1631866 0.3554943 0.5000000), wk = 0.0021739 k( 122) = ( 0.1835849 0.3374311 0.5000000), wk = 0.0021739 k( 123) = ( 0.2039833 0.3193679 0.5000000), wk = 0.0021739 k( 124) = ( 0.2243816 0.3013047 0.5000000), wk = 0.0021739 k( 125) = ( 0.2447799 0.2832414 0.5000000), wk = 0.0021739 k( 126) = ( 0.2651782 0.2651782 0.5000000), wk = 0.0021739 k( 127) = ( 0.2651782 0.2651782 0.5000000), wk = 0.0021739 k( 128) = ( 0.2603568 0.2603568 0.5000000), wk = 0.0021739 k( 129) = ( 0.2555354 0.2555354 0.5000000), wk = 0.0021739 k( 130) = ( 0.2507140 0.2507140 0.5000000), wk = 0.0021739 k( 131) = ( 0.2458925 0.2458925 0.5000000), wk = 0.0021739 k( 132) = ( 0.2410711 0.2410711 0.5000000), wk = 0.0021739 k( 133) = ( 0.2362497 0.2362497 0.5000000), wk = 0.0021739 k( 134) = ( 0.2314283 0.2314283 0.5000000), wk = 0.0021739 k( 135) = ( 0.2266069 0.2266069 0.5000000), wk = 0.0021739 k( 136) = ( 0.2217854 0.2217854 0.5000000), wk = 0.0021739 k( 137) = ( 0.2169640 0.2169640 0.5000000), wk = 0.0021739 k( 138) = ( 0.2121426 0.2121426 0.5000000), wk = 0.0021739 k( 139) = ( 0.2073212 0.2073212 0.5000000), wk = 0.0021739 k( 140) = ( 0.2024998 0.2024997 0.5000000), wk = 0.0021739 k( 141) = ( 0.1976783 0.1976783 0.5000000), wk = 0.0021739 k( 142) = ( 0.1928569 0.1928569 0.5000000), wk = 0.0021739 k( 143) = ( 0.1880355 0.1880355 0.5000000), wk = 0.0021739 k( 144) = ( 0.1832141 0.1832141 0.5000000), wk = 0.0021739 k( 145) = ( 0.1783926 0.1783926 0.5000000), wk = 0.0021739 k( 146) = ( 0.1735712 0.1735712 0.5000000), wk = 0.0021739 k( 147) = ( 0.1687498 0.1687498 0.5000000), wk = 0.0021739 k( 148) = ( 0.1639284 0.1639284 0.5000000), wk = 0.0021739 k( 149) = ( 0.1591069 0.1591069 0.5000000), wk = 0.0021739 k( 150) = ( 0.1542855 0.1542855 0.5000000), wk = 0.0021739 k( 151) = ( 0.1494641 0.1494641 0.5000000), wk = 0.0021739 k( 152) = ( 0.1446427 0.1446427 0.5000000), wk = 0.0021739 k( 153) = ( 0.1398213 0.1398212 0.5000000), wk = 0.0021739 k( 154) = ( 0.1349998 0.1349998 0.5000000), wk = 0.0021739 k( 155) = ( 0.1301784 0.1301784 0.5000000), wk = 0.0021739 k( 156) = ( 0.1253570 0.1253570 0.5000000), wk = 0.0021739 k( 157) = ( 0.1205356 0.1205356 0.5000000), wk = 0.0021739 k( 158) = ( 0.1157141 0.1157141 0.5000000), wk = 0.0021739 k( 159) = ( 0.1108927 0.1108927 0.5000000), wk = 0.0021739 k( 160) = ( 0.1060713 0.1060713 0.5000000), wk = 0.0021739 k( 161) = ( 0.1012499 0.1012499 0.5000000), wk = 0.0021739 k( 162) = ( 0.0964284 0.0964284 0.5000000), wk = 0.0021739 k( 163) = ( 0.0916070 0.0916070 0.5000000), wk = 0.0021739 k( 164) = ( 0.0867856 0.0867856 0.5000000), wk = 0.0021739 k( 165) = ( 0.0819642 0.0819642 0.5000000), wk = 0.0021739 k( 166) = ( 0.0771428 0.0771428 0.5000000), wk = 0.0021739 k( 167) = ( 0.0723213 0.0723213 0.5000000), wk = 0.0021739 k( 168) = ( 0.0674999 0.0674999 0.5000000), wk = 0.0021739 k( 169) = ( 0.0626785 0.0626785 0.5000000), wk = 0.0021739 k( 170) = ( 0.0578571 0.0578571 0.5000000), wk = 0.0021739 k( 171) = ( 0.0530356 0.0530356 0.5000000), wk = 0.0021739 k( 172) = ( 0.0482142 0.0482142 0.5000000), wk = 0.0021739 k( 173) = ( 0.0433928 0.0433928 0.5000000), wk = 0.0021739 k( 174) = ( 0.0385714 0.0385714 0.5000000), wk = 0.0021739 k( 175) = ( 0.0337500 0.0337500 0.5000000), wk = 0.0021739 k( 176) = ( 0.0289285 0.0289285 0.5000000), wk = 0.0021739 k( 177) = ( 0.0241071 0.0241071 0.5000000), wk = 0.0021739 k( 178) = ( 0.0192857 0.0192857 0.5000000), wk = 0.0021739 k( 179) = ( 0.0144643 0.0144643 0.5000000), wk = 0.0021739 k( 180) = ( 0.0096428 0.0096428 0.5000000), wk = 0.0021739 k( 181) = ( 0.0048214 0.0048214 0.5000000), wk = 0.0021739 k( 182) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021739 k( 183) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021739 k( 184) = ( 0.0000000 0.0000000 0.4878049), wk = 0.0021739 k( 185) = ( 0.0000000 0.0000000 0.4756098), wk = 0.0021739 k( 186) = ( 0.0000000 0.0000000 0.4634146), wk = 0.0021739 k( 187) = ( 0.0000000 0.0000000 0.4512195), wk = 0.0021739 k( 188) = ( 0.0000000 0.0000000 0.4390244), wk = 0.0021739 k( 189) = ( 0.0000000 0.0000000 0.4268293), wk = 0.0021739 k( 190) = ( 0.0000000 0.0000000 0.4146341), wk = 0.0021739 k( 191) = ( 0.0000000 0.0000000 0.4024390), wk = 0.0021739 k( 192) = ( 0.0000000 0.0000000 0.3902439), wk = 0.0021739 k( 193) = ( 0.0000000 0.0000000 0.3780488), wk = 0.0021739 k( 194) = ( 0.0000000 0.0000000 0.3658537), wk = 0.0021739 k( 195) = ( 0.0000000 0.0000000 0.3536585), wk = 0.0021739 k( 196) = ( 0.0000000 0.0000000 0.3414634), wk = 0.0021739 k( 197) = ( 0.0000000 0.0000000 0.3292683), wk = 0.0021739 k( 198) = ( 0.0000000 0.0000000 0.3170732), wk = 0.0021739 k( 199) = ( 0.0000000 0.0000000 0.3048780), wk = 0.0021739 k( 200) = ( 0.0000000 0.0000000 0.2926829), wk = 0.0021739 k( 201) = ( 0.0000000 0.0000000 0.2804878), wk = 0.0021739 k( 202) = ( 0.0000000 0.0000000 0.2682927), wk = 0.0021739 k( 203) = ( 0.0000000 0.0000000 0.2560976), wk = 0.0021739 k( 204) = ( 0.0000000 0.0000000 0.2439024), wk = 0.0021739 k( 205) = ( 0.0000000 0.0000000 0.2317073), wk = 0.0021739 k( 206) = ( 0.0000000 0.0000000 0.2195122), wk = 0.0021739 k( 207) = ( 0.0000000 0.0000000 0.2073171), wk = 0.0021739 k( 208) = ( 0.0000000 0.0000000 0.1951219), wk = 0.0021739 k( 209) = ( 0.0000000 0.0000000 0.1829268), wk = 0.0021739 k( 210) = ( 0.0000000 0.0000000 0.1707317), wk = 0.0021739 k( 211) = ( 0.0000000 0.0000000 0.1585366), wk = 0.0021739 k( 212) = ( 0.0000000 0.0000000 0.1463415), wk = 0.0021739 k( 213) = ( 0.0000000 0.0000000 0.1341463), wk = 0.0021739 k( 214) = ( 0.0000000 0.0000000 0.1219512), wk = 0.0021739 k( 215) = ( 0.0000000 0.0000000 0.1097561), wk = 0.0021739 k( 216) = ( 0.0000000 0.0000000 0.0975610), wk = 0.0021739 k( 217) = ( 0.0000000 0.0000000 0.0853658), wk = 0.0021739 k( 218) = ( 0.0000000 0.0000000 0.0731707), wk = 0.0021739 k( 219) = ( 0.0000000 0.0000000 0.0609756), wk = 0.0021739 k( 220) = ( 0.0000000 0.0000000 0.0487805), wk = 0.0021739 k( 221) = ( 0.0000000 0.0000000 0.0365854), wk = 0.0021739 k( 222) = ( 0.0000000 0.0000000 0.0243902), wk = 0.0021739 k( 223) = ( 0.0000000 0.0000000 0.0121951), wk = 0.0021739 k( 224) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 225) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 226) = ( -0.0192308 0.0192308 -0.0000000), wk = 0.0021739 k( 227) = ( -0.0384615 0.0384615 -0.0000000), wk = 0.0021739 k( 228) = ( -0.0576923 0.0576923 -0.0000000), wk = 0.0021739 k( 229) = ( -0.0769231 0.0769231 -0.0000000), wk = 0.0021739 k( 230) = ( -0.0961538 0.0961538 0.0000000), wk = 0.0021739 k( 231) = ( -0.1153846 0.1153846 -0.0000000), wk = 0.0021739 k( 232) = ( -0.1346154 0.1346154 -0.0000000), wk = 0.0021739 k( 233) = ( -0.1538461 0.1538462 0.0000000), wk = 0.0021739 k( 234) = ( -0.1730769 0.1730769 0.0000000), wk = 0.0021739 k( 235) = ( -0.1923077 0.1923077 -0.0000000), wk = 0.0021739 k( 236) = ( -0.2115385 0.2115385 -0.0000000), wk = 0.0021739 k( 237) = ( -0.2307692 0.2307692 0.0000000), wk = 0.0021739 k( 238) = ( -0.2500000 0.2500000 0.0000000), wk = 0.0021739 k( 239) = ( -0.2692308 0.2692308 -0.0000000), wk = 0.0021739 k( 240) = ( -0.2884615 0.2884615 -0.0000000), wk = 0.0021739 k( 241) = ( -0.3076923 0.3076923 -0.0000000), wk = 0.0021739 k( 242) = ( -0.3269231 0.3269231 0.0000000), wk = 0.0021739 k( 243) = ( -0.3461538 0.3461539 0.0000000), wk = 0.0021739 k( 244) = ( -0.3653846 0.3653846 0.0000000), wk = 0.0021739 k( 245) = ( -0.3846154 0.3846154 -0.0000000), wk = 0.0021739 k( 246) = ( -0.4038462 0.4038462 -0.0000000), wk = 0.0021739 k( 247) = ( -0.4230769 0.4230769 -0.0000000), wk = 0.0021739 k( 248) = ( -0.4423077 0.4423077 0.0000000), wk = 0.0021739 k( 249) = ( -0.4615385 0.4615385 0.0000000), wk = 0.0021739 k( 250) = ( -0.4807692 0.4807692 0.0000000), wk = 0.0021739 k( 251) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0021739 k( 252) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0021739 k( 253) = ( -0.4951079 0.5048921 0.0000000), wk = 0.0021739 k( 254) = ( -0.4902158 0.5097842 -0.0000000), wk = 0.0021739 k( 255) = ( -0.4853236 0.5146764 -0.0000000), wk = 0.0021739 k( 256) = ( -0.4804315 0.5195685 -0.0000000), wk = 0.0021739 k( 257) = ( -0.4755394 0.5244606 0.0000000), wk = 0.0021739 k( 258) = ( -0.4706473 0.5293527 -0.0000000), wk = 0.0021739 k( 259) = ( -0.4657552 0.5342448 -0.0000000), wk = 0.0021739 k( 260) = ( -0.4608630 0.5391370 0.0000000), wk = 0.0021739 k( 261) = ( -0.4559709 0.5440291 -0.0000000), wk = 0.0021739 k( 262) = ( -0.4510788 0.5489212 -0.0000000), wk = 0.0021739 k( 263) = ( -0.4461867 0.5538133 0.0000000), wk = 0.0021739 k( 264) = ( -0.4412946 0.5587054 -0.0000000), wk = 0.0021739 k( 265) = ( -0.4364024 0.5635976 0.0000000), wk = 0.0021739 k( 266) = ( -0.4315103 0.5684897 -0.0000000), wk = 0.0021739 k( 267) = ( -0.4266182 0.5733818 -0.0000000), wk = 0.0021739 k( 268) = ( -0.4217261 0.5782739 0.0000000), wk = 0.0021739 k( 269) = ( -0.4168340 0.5831660 -0.0000000), wk = 0.0021739 k( 270) = ( -0.4119418 0.5880582 0.0000000), wk = 0.0021739 k( 271) = ( -0.4070497 0.5929503 -0.0000000), wk = 0.0021739 k( 272) = ( -0.4021576 0.5978424 0.0000000), wk = 0.0021739 k( 273) = ( -0.3972655 0.6027345 0.0000000), wk = 0.0021739 k( 274) = ( -0.3923734 0.6076266 -0.0000000), wk = 0.0021739 k( 275) = ( -0.3874812 0.6125188 0.0000000), wk = 0.0021739 k( 276) = ( -0.3825891 0.6174109 -0.0000000), wk = 0.0021739 k( 277) = ( -0.3776970 0.6223030 -0.0000000), wk = 0.0021739 k( 278) = ( -0.3728049 0.6271951 0.0000000), wk = 0.0021739 k( 279) = ( -0.3679128 0.6320872 -0.0000000), wk = 0.0021739 k( 280) = ( -0.3630206 0.6369794 0.0000000), wk = 0.0021739 k( 281) = ( -0.3581285 0.6418715 -0.0000000), wk = 0.0021739 k( 282) = ( -0.3532364 0.6467636 -0.0000000), wk = 0.0021739 k( 283) = ( -0.3483443 0.6516557 0.0000000), wk = 0.0021739 k( 284) = ( -0.3434522 0.6565478 -0.0000000), wk = 0.0021739 k( 285) = ( -0.3385600 0.6614400 -0.0000000), wk = 0.0021739 k( 286) = ( -0.3336679 0.6663321 -0.0000000), wk = 0.0021739 k( 287) = ( -0.3287758 0.6712242 0.0000000), wk = 0.0021739 k( 288) = ( -0.3238837 0.6761163 -0.0000000), wk = 0.0021739 k( 289) = ( -0.3189916 0.6810084 -0.0000000), wk = 0.0021739 k( 290) = ( -0.3140994 0.6859006 0.0000000), wk = 0.0021739 k( 291) = ( -0.3092073 0.6907927 -0.0000000), wk = 0.0021739 k( 292) = ( -0.3043152 0.6956848 -0.0000000), wk = 0.0021739 k( 293) = ( -0.2994231 0.7005769 0.0000000), wk = 0.0021739 k( 294) = ( -0.2945310 0.7054690 -0.0000000), wk = 0.0021739 k( 295) = ( -0.2896388 0.7103612 0.0000000), wk = 0.0021739 k( 296) = ( -0.2847467 0.7152533 -0.0000000), wk = 0.0021739 k( 297) = ( -0.2798546 0.7201454 -0.0000000), wk = 0.0021739 k( 298) = ( -0.2749625 0.7250375 -0.0000000), wk = 0.0021739 k( 299) = ( -0.2700704 0.7299296 0.0000000), wk = 0.0021739 k( 300) = ( -0.2651782 0.7348218 -0.0000000), wk = 0.0021739 k( 301) = ( -0.2651782 0.7348218 -0.0000000), wk = 0.0021739 k( 302) = ( -0.2651782 0.7348218 0.0121951), wk = 0.0021739 k( 303) = ( -0.2651782 0.7348218 0.0243902), wk = 0.0021739 k( 304) = ( -0.2651782 0.7348218 0.0365854), wk = 0.0021739 k( 305) = ( -0.2651782 0.7348218 0.0487805), wk = 0.0021739 k( 306) = ( -0.2651782 0.7348218 0.0609756), wk = 0.0021739 k( 307) = ( -0.2651782 0.7348218 0.0731707), wk = 0.0021739 k( 308) = ( -0.2651782 0.7348218 0.0853658), wk = 0.0021739 k( 309) = ( -0.2651782 0.7348218 0.0975610), wk = 0.0021739 k( 310) = ( -0.2651782 0.7348218 0.1097561), wk = 0.0021739 k( 311) = ( -0.2651782 0.7348218 0.1219512), wk = 0.0021739 k( 312) = ( -0.2651782 0.7348218 0.1341463), wk = 0.0021739 k( 313) = ( -0.2651782 0.7348218 0.1463415), wk = 0.0021739 k( 314) = ( -0.2651782 0.7348218 0.1585366), wk = 0.0021739 k( 315) = ( -0.2651782 0.7348218 0.1707317), wk = 0.0021739 k( 316) = ( -0.2651782 0.7348218 0.1829268), wk = 0.0021739 k( 317) = ( -0.2651782 0.7348218 0.1951219), wk = 0.0021739 k( 318) = ( -0.2651782 0.7348218 0.2073171), wk = 0.0021739 k( 319) = ( -0.2651782 0.7348218 0.2195122), wk = 0.0021739 k( 320) = ( -0.2651782 0.7348218 0.2317073), wk = 0.0021739 k( 321) = ( -0.2651782 0.7348218 0.2439024), wk = 0.0021739 k( 322) = ( -0.2651782 0.7348218 0.2560976), wk = 0.0021739 k( 323) = ( -0.2651782 0.7348218 0.2682927), wk = 0.0021739 k( 324) = ( -0.2651782 0.7348218 0.2804878), wk = 0.0021739 k( 325) = ( -0.2651782 0.7348218 0.2926829), wk = 0.0021739 k( 326) = ( -0.2651782 0.7348218 0.3048781), wk = 0.0021739 k( 327) = ( -0.2651782 0.7348218 0.3170732), wk = 0.0021739 k( 328) = ( -0.2651782 0.7348218 0.3292683), wk = 0.0021739 k( 329) = ( -0.2651782 0.7348218 0.3414634), wk = 0.0021739 k( 330) = ( -0.2651782 0.7348218 0.3536585), wk = 0.0021739 k( 331) = ( -0.2651782 0.7348218 0.3658537), wk = 0.0021739 k( 332) = ( -0.2651782 0.7348218 0.3780488), wk = 0.0021739 k( 333) = ( -0.2651782 0.7348218 0.3902439), wk = 0.0021739 k( 334) = ( -0.2651782 0.7348218 0.4024390), wk = 0.0021739 k( 335) = ( -0.2651782 0.7348218 0.4146341), wk = 0.0021739 k( 336) = ( -0.2651782 0.7348218 0.4268293), wk = 0.0021739 k( 337) = ( -0.2651782 0.7348218 0.4390244), wk = 0.0021739 k( 338) = ( -0.2651782 0.7348218 0.4512195), wk = 0.0021739 k( 339) = ( -0.2651782 0.7348218 0.4634146), wk = 0.0021739 k( 340) = ( -0.2651782 0.7348218 0.4756098), wk = 0.0021739 k( 341) = ( -0.2651782 0.7348218 0.4878049), wk = 0.0021739 k( 342) = ( -0.2651782 0.7348218 0.5000000), wk = 0.0021739 k( 343) = ( -0.2651782 0.7348218 0.5000000), wk = 0.0021739 k( 344) = ( -0.2700704 0.7299296 0.5000000), wk = 0.0021739 k( 345) = ( -0.2749625 0.7250375 0.5000000), wk = 0.0021739 k( 346) = ( -0.2798546 0.7201454 0.5000000), wk = 0.0021739 k( 347) = ( -0.2847467 0.7152533 0.5000000), wk = 0.0021739 k( 348) = ( -0.2896388 0.7103612 0.5000000), wk = 0.0021739 k( 349) = ( -0.2945310 0.7054690 0.5000000), wk = 0.0021739 k( 350) = ( -0.2994231 0.7005769 0.5000000), wk = 0.0021739 k( 351) = ( -0.3043152 0.6956848 0.5000000), wk = 0.0021739 k( 352) = ( -0.3092073 0.6907927 0.5000000), wk = 0.0021739 k( 353) = ( -0.3140994 0.6859006 0.5000000), wk = 0.0021739 k( 354) = ( -0.3189916 0.6810084 0.5000000), wk = 0.0021739 k( 355) = ( -0.3238837 0.6761163 0.5000000), wk = 0.0021739 k( 356) = ( -0.3287758 0.6712242 0.5000000), wk = 0.0021739 k( 357) = ( -0.3336679 0.6663321 0.5000000), wk = 0.0021739 k( 358) = ( -0.3385600 0.6614400 0.5000000), wk = 0.0021739 k( 359) = ( -0.3434522 0.6565478 0.5000000), wk = 0.0021739 k( 360) = ( -0.3483443 0.6516557 0.5000000), wk = 0.0021739 k( 361) = ( -0.3532364 0.6467636 0.5000000), wk = 0.0021739 k( 362) = ( -0.3581285 0.6418715 0.5000000), wk = 0.0021739 k( 363) = ( -0.3630206 0.6369794 0.5000000), wk = 0.0021739 k( 364) = ( -0.3679128 0.6320872 0.5000000), wk = 0.0021739 k( 365) = ( -0.3728049 0.6271951 0.5000000), wk = 0.0021739 k( 366) = ( -0.3776970 0.6223030 0.5000000), wk = 0.0021739 k( 367) = ( -0.3825891 0.6174109 0.5000000), wk = 0.0021739 k( 368) = ( -0.3874812 0.6125188 0.5000000), wk = 0.0021739 k( 369) = ( -0.3923734 0.6076266 0.5000000), wk = 0.0021739 k( 370) = ( -0.3972655 0.6027345 0.5000000), wk = 0.0021739 k( 371) = ( -0.4021576 0.5978424 0.5000000), wk = 0.0021739 k( 372) = ( -0.4070497 0.5929503 0.5000000), wk = 0.0021739 k( 373) = ( -0.4119418 0.5880582 0.5000000), wk = 0.0021739 k( 374) = ( -0.4168340 0.5831660 0.5000000), wk = 0.0021739 k( 375) = ( -0.4217261 0.5782739 0.5000000), wk = 0.0021739 k( 376) = ( -0.4266182 0.5733818 0.5000000), wk = 0.0021739 k( 377) = ( -0.4315103 0.5684897 0.5000000), wk = 0.0021739 k( 378) = ( -0.4364024 0.5635976 0.5000000), wk = 0.0021739 k( 379) = ( -0.4412946 0.5587054 0.5000000), wk = 0.0021739 k( 380) = ( -0.4461867 0.5538133 0.5000000), wk = 0.0021739 k( 381) = ( -0.4510788 0.5489212 0.5000000), wk = 0.0021739 k( 382) = ( -0.4559709 0.5440291 0.5000000), wk = 0.0021739 k( 383) = ( -0.4608630 0.5391370 0.5000000), wk = 0.0021739 k( 384) = ( -0.4657552 0.5342448 0.5000000), wk = 0.0021739 k( 385) = ( -0.4706473 0.5293527 0.5000000), wk = 0.0021739 k( 386) = ( -0.4755394 0.5244606 0.5000000), wk = 0.0021739 k( 387) = ( -0.4804315 0.5195685 0.5000000), wk = 0.0021739 k( 388) = ( -0.4853236 0.5146764 0.5000000), wk = 0.0021739 k( 389) = ( -0.4902158 0.5097842 0.5000000), wk = 0.0021739 k( 390) = ( -0.4951079 0.5048921 0.5000000), wk = 0.0021739 k( 391) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0021739 k( 392) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0021739 k( 393) = ( -0.5000000 0.5000000 0.4878049), wk = 0.0021739 k( 394) = ( -0.5000000 0.5000000 0.4756098), wk = 0.0021739 k( 395) = ( -0.5000000 0.5000000 0.4634146), wk = 0.0021739 k( 396) = ( -0.5000000 0.5000000 0.4512195), wk = 0.0021739 k( 397) = ( -0.5000000 0.5000000 0.4390244), wk = 0.0021739 k( 398) = ( -0.5000000 0.5000000 0.4268293), wk = 0.0021739 k( 399) = ( -0.5000000 0.5000000 0.4146341), wk = 0.0021739 k( 400) = ( -0.5000000 0.5000000 0.4024390), wk = 0.0021739 k( 401) = ( -0.5000000 0.5000000 0.3902439), wk = 0.0021739 k( 402) = ( -0.5000000 0.5000000 0.3780488), wk = 0.0021739 k( 403) = ( -0.5000000 0.5000000 0.3658537), wk = 0.0021739 k( 404) = ( -0.5000000 0.5000000 0.3536585), wk = 0.0021739 k( 405) = ( -0.5000000 0.5000000 0.3414634), wk = 0.0021739 k( 406) = ( -0.5000000 0.5000000 0.3292683), wk = 0.0021739 k( 407) = ( -0.5000000 0.5000000 0.3170732), wk = 0.0021739 k( 408) = ( -0.5000000 0.5000000 0.3048780), wk = 0.0021739 k( 409) = ( -0.5000000 0.5000000 0.2926829), wk = 0.0021739 k( 410) = ( -0.5000000 0.5000000 0.2804878), wk = 0.0021739 k( 411) = ( -0.5000000 0.5000000 0.2682927), wk = 0.0021739 k( 412) = ( -0.5000000 0.5000000 0.2560976), wk = 0.0021739 k( 413) = ( -0.5000000 0.5000000 0.2439024), wk = 0.0021739 k( 414) = ( -0.5000000 0.5000000 0.2317073), wk = 0.0021739 k( 415) = ( -0.5000000 0.5000000 0.2195122), wk = 0.0021739 k( 416) = ( -0.5000000 0.5000000 0.2073171), wk = 0.0021739 k( 417) = ( -0.5000000 0.5000000 0.1951219), wk = 0.0021739 k( 418) = ( -0.5000000 0.5000000 0.1829268), wk = 0.0021739 k( 419) = ( -0.5000000 0.5000000 0.1707317), wk = 0.0021739 k( 420) = ( -0.5000000 0.5000000 0.1585366), wk = 0.0021739 k( 421) = ( -0.5000000 0.5000000 0.1463415), wk = 0.0021739 k( 422) = ( -0.5000000 0.5000000 0.1341463), wk = 0.0021739 k( 423) = ( -0.5000000 0.5000000 0.1219512), wk = 0.0021739 k( 424) = ( -0.5000000 0.5000000 0.1097561), wk = 0.0021739 k( 425) = ( -0.5000000 0.5000000 0.0975610), wk = 0.0021739 k( 426) = ( -0.5000000 0.5000000 0.0853658), wk = 0.0021739 k( 427) = ( -0.5000000 0.5000000 0.0731707), wk = 0.0021739 k( 428) = ( -0.5000000 0.5000000 0.0609756), wk = 0.0021739 k( 429) = ( -0.5000000 0.5000000 0.0487805), wk = 0.0021739 k( 430) = ( -0.5000000 0.5000000 0.0365854), wk = 0.0021739 k( 431) = ( -0.5000000 0.5000000 0.0243902), wk = 0.0021739 k( 432) = ( -0.5000000 0.5000000 0.0121951), wk = 0.0021739 k( 433) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0021739 k( 434) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021739 k( 435) = ( -0.0192308 0.0192308 0.5000000), wk = 0.0021739 k( 436) = ( -0.0384615 0.0384615 0.5000000), wk = 0.0021739 k( 437) = ( -0.0576923 0.0576923 0.5000000), wk = 0.0021739 k( 438) = ( -0.0769231 0.0769231 0.5000000), wk = 0.0021739 k( 439) = ( -0.0961538 0.0961538 0.5000000), wk = 0.0021739 k( 440) = ( -0.1153846 0.1153846 0.5000000), wk = 0.0021739 k( 441) = ( -0.1346154 0.1346154 0.5000000), wk = 0.0021739 k( 442) = ( -0.1538461 0.1538462 0.5000000), wk = 0.0021739 k( 443) = ( -0.1730769 0.1730769 0.5000000), wk = 0.0021739 k( 444) = ( -0.1923077 0.1923077 0.5000000), wk = 0.0021739 k( 445) = ( -0.2115385 0.2115385 0.5000000), wk = 0.0021739 k( 446) = ( -0.2307692 0.2307692 0.5000000), wk = 0.0021739 k( 447) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0021739 k( 448) = ( -0.2692308 0.2692308 0.5000000), wk = 0.0021739 k( 449) = ( -0.2884615 0.2884615 0.5000000), wk = 0.0021739 k( 450) = ( -0.3076923 0.3076923 0.5000000), wk = 0.0021739 k( 451) = ( -0.3269231 0.3269231 0.5000000), wk = 0.0021739 k( 452) = ( -0.3461538 0.3461539 0.5000000), wk = 0.0021739 k( 453) = ( -0.3653846 0.3653846 0.5000000), wk = 0.0021739 k( 454) = ( -0.3846154 0.3846154 0.5000000), wk = 0.0021739 k( 455) = ( -0.4038462 0.4038462 0.5000000), wk = 0.0021739 k( 456) = ( -0.4230769 0.4230769 0.5000000), wk = 0.0021739 k( 457) = ( -0.4423077 0.4423077 0.5000000), wk = 0.0021739 k( 458) = ( -0.4615385 0.4615385 0.5000000), wk = 0.0021739 k( 459) = ( -0.4807692 0.4807692 0.5000000), wk = 0.0021739 k( 460) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0021739 Dense grid: 49535 G-vectors FFT dimensions: ( 72, 72, 45) Smooth grid: 21845 G-vectors FFT dimensions: ( 54, 54, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 160, 50) NL pseudopotentials 0.16 Mb ( 80, 128) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.01 Mb ( 1377) G-vector shells 0.01 Mb ( 699) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.49 Mb ( 160, 200) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.20 Mb ( 128, 2, 50) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./FeHO2.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.0 secs Computing kpt #: 2 total cpu time spent up to now is 3.6 secs Computing kpt #: 3 total cpu time spent up to now is 4.3 secs Computing kpt #: 4 total cpu time spent up to now is 4.9 secs Computing kpt #: 5 total cpu time spent up to now is 5.5 secs Computing kpt #: 6 total cpu time spent up to now is 6.2 secs Computing kpt #: 7 total cpu time spent up to now is 6.8 secs Computing kpt #: 8 total cpu time spent up to now is 7.5 secs Computing kpt #: 9 total cpu time spent up to now is 8.0 secs Computing kpt #: 10 total cpu time spent up to now is 8.6 secs Computing kpt #: 11 total cpu time spent up to now is 9.2 secs Computing kpt #: 12 total cpu time spent up to now is 9.7 secs Computing kpt #: 13 total cpu time spent up to now is 10.3 secs Computing kpt #: 14 total cpu time spent up to now is 10.9 secs Computing kpt #: 15 total cpu time spent up to now is 11.5 secs Computing kpt #: 16 total cpu time spent up to now is 12.1 secs Computing kpt #: 17 total cpu time spent up to now is 12.6 secs Computing kpt #: 18 total cpu time spent up to now is 13.2 secs Computing kpt #: 19 total cpu time spent up to now is 13.7 secs Computing kpt #: 20 total cpu time spent up to now is 14.3 secs Computing kpt #: 21 total cpu time spent up to now is 14.8 secs Computing kpt #: 22 total cpu time spent up to now is 15.3 secs Computing kpt #: 23 total cpu time spent up to now is 15.9 secs Computing kpt #: 24 total cpu time spent up to now is 16.4 secs Computing kpt #: 25 total cpu time spent up to now is 16.9 secs Computing kpt #: 26 total cpu time spent up to now is 17.5 secs Computing kpt #: 27 total cpu time spent up to now is 18.0 secs Computing kpt #: 28 total cpu time spent up to now is 18.6 secs Computing kpt #: 29 total cpu time spent up to now is 19.1 secs Computing kpt #: 30 total cpu time spent up to now is 19.7 secs Computing kpt #: 31 total cpu time spent up to now is 20.2 secs Computing kpt #: 32 total cpu time spent up to now is 20.7 secs Computing kpt #: 33 total cpu time spent up to now is 21.3 secs Computing kpt #: 34 total cpu time spent up to now is 21.8 secs Computing kpt #: 35 total cpu time spent up to now is 22.4 secs Computing kpt #: 36 total cpu time spent up to now is 22.9 secs Computing kpt #: 37 total cpu time spent up to now is 23.5 secs Computing kpt #: 38 total cpu time spent up to now is 24.0 secs Computing kpt #: 39 total cpu time spent up to now is 24.5 secs Computing kpt #: 40 total cpu time spent up to now is 25.1 secs Computing kpt #: 41 total cpu time spent up to now is 25.6 secs Computing kpt #: 42 total cpu time spent up to now is 26.2 secs Computing kpt #: 43 total cpu time spent up to now is 26.7 secs Computing kpt #: 44 total cpu time spent up to now is 27.3 secs Computing kpt #: 45 total cpu time spent up to now is 27.8 secs Computing kpt #: 46 total cpu time spent up to now is 28.3 secs Computing kpt #: 47 total cpu time spent up to now is 28.9 secs Computing kpt #: 48 total cpu time spent up to now is 29.4 secs Computing kpt #: 49 total cpu time spent up to now is 30.0 secs Computing kpt #: 50 total cpu time spent up to now is 30.5 secs Computing kpt #: 51 total cpu time spent up to now is 31.1 secs Computing kpt #: 52 total cpu time spent up to now is 31.7 secs Computing kpt #: 53 total cpu time spent up to now is 32.3 secs Computing kpt #: 54 total cpu time spent up to now is 32.8 secs Computing kpt #: 55 total cpu time spent up to now is 33.4 secs Computing kpt #: 56 total cpu time spent up to now is 34.0 secs Computing kpt #: 57 total cpu time spent up to now is 34.6 secs Computing kpt #: 58 total cpu time spent up to now is 35.1 secs Computing kpt #: 59 total cpu time spent up to now is 35.7 secs Computing kpt #: 60 total cpu time spent up to now is 36.3 secs Computing kpt #: 61 total cpu time spent up to now is 36.9 secs Computing kpt #: 62 total cpu time spent up to now is 37.4 secs Computing kpt #: 63 total cpu time spent up to now is 38.2 secs Computing kpt #: 64 total cpu time spent up to now is 38.8 secs Computing kpt #: 65 total cpu time spent up to now is 39.3 secs Computing kpt #: 66 total cpu time spent up to now is 39.9 secs Computing kpt #: 67 total cpu time spent up to now is 40.5 secs Computing kpt #: 68 total cpu time spent up to now is 41.0 secs Computing kpt #: 69 total cpu time spent up to now is 41.6 secs Computing kpt #: 70 total cpu time spent up to now is 42.1 secs Computing kpt #: 71 total cpu time spent up to now is 42.7 secs Computing kpt #: 72 total cpu time spent up to now is 43.3 secs Computing kpt #: 73 total cpu time spent up to now is 43.9 secs Computing kpt #: 74 total cpu time spent up to now is 44.4 secs Computing kpt #: 75 total cpu time spent up to now is 45.0 secs Computing kpt #: 76 total cpu time spent up to now is 45.5 secs Computing kpt #: 77 total cpu time spent up to now is 46.1 secs Computing kpt #: 78 total cpu time spent up to now is 46.7 secs Computing kpt #: 79 total cpu time spent up to now is 47.2 secs Computing kpt #: 80 total cpu time spent up to now is 47.8 secs Computing kpt #: 81 total cpu time spent up to now is 48.4 secs Computing kpt #: 82 total cpu time spent up to now is 49.0 secs Computing kpt #: 83 total cpu time spent up to now is 49.6 secs Computing kpt #: 84 total cpu time spent up to now is 50.2 secs Computing kpt #: 85 total cpu time spent up to now is 50.7 secs Computing kpt #: 86 total cpu time spent up to now is 51.3 secs Computing kpt #: 87 total cpu time spent up to now is 51.9 secs Computing kpt #: 88 total cpu time spent up to now is 52.5 secs Computing kpt #: 89 total cpu time spent up to now is 53.1 secs Computing kpt #: 90 total cpu time spent up to now is 53.7 secs Computing kpt #: 91 total cpu time spent up to now is 54.2 secs Computing kpt #: 92 total cpu time spent up to now is 54.8 secs Computing kpt #: 93 total cpu time spent up to now is 55.4 secs Computing kpt #: 94 total cpu time spent up to now is 55.9 secs Computing kpt #: 95 total cpu time spent up to now is 56.6 secs Computing kpt #: 96 total cpu time spent up to now is 57.1 secs Computing kpt #: 97 total cpu time spent up to now is 57.8 secs Computing kpt #: 98 total cpu time spent up to now is 58.3 secs Computing kpt #: 99 total cpu time spent up to now is 58.9 secs Computing kpt #: 100 total cpu time spent up to now is 59.5 secs Computing kpt #: 101 total cpu time spent up to now is 60.1 secs Computing kpt #: 102 total cpu time spent up to now is 60.7 secs Computing kpt #: 103 total cpu time spent up to now is 61.3 secs Computing kpt #: 104 total cpu time spent up to now is 61.9 secs Computing kpt #: 105 total cpu time spent up to now is 62.4 secs Computing kpt #: 106 total cpu time spent up to now is 63.0 secs Computing kpt #: 107 total cpu time spent up to now is 63.6 secs Computing kpt #: 108 total cpu time spent up to now is 64.2 secs Computing kpt #: 109 total cpu time spent up to now is 64.8 secs Computing kpt #: 110 total cpu time spent up to now is 65.4 secs Computing kpt #: 111 total cpu time spent up to now is 66.0 secs Computing kpt #: 112 total cpu time spent up to now is 66.6 secs Computing kpt #: 113 total cpu time spent up to now is 67.2 secs Computing kpt #: 114 total cpu time spent up to now is 67.8 secs Computing kpt #: 115 total cpu time spent up to now is 68.4 secs Computing kpt #: 116 total cpu time spent up to now is 69.0 secs Computing kpt #: 117 total cpu time spent up to now is 69.6 secs Computing kpt #: 118 total cpu time spent up to now is 70.2 secs Computing kpt #: 119 total cpu time spent up to now is 70.8 secs Computing kpt #: 120 total cpu time spent up to now is 71.4 secs Computing kpt #: 121 total cpu time spent up to now is 72.0 secs Computing kpt #: 122 total cpu time spent up to now is 72.6 secs Computing kpt #: 123 total cpu time spent up to now is 73.2 secs Computing kpt #: 124 total cpu time spent up to now is 73.8 secs Computing kpt #: 125 total cpu time spent up to now is 74.4 secs Computing kpt #: 126 total cpu time spent up to now is 75.0 secs Computing kpt #: 127 total cpu time spent up to now is 75.6 secs Computing kpt #: 128 total cpu time spent up to now is 76.2 secs Computing kpt #: 129 total cpu time spent up to now is 76.8 secs Computing kpt #: 130 total cpu time spent up to now is 77.5 secs Computing kpt #: 131 total cpu time spent up to now is 78.0 secs Computing kpt #: 132 total cpu time spent up to now is 78.6 secs Computing kpt #: 133 total cpu time spent up to now is 79.2 secs Computing kpt #: 134 total cpu time spent up to now is 79.9 secs Computing kpt #: 135 total cpu time spent up to now is 80.4 secs Computing kpt #: 136 total cpu time spent up to now is 81.0 secs Computing kpt #: 137 total cpu time spent up to now is 81.6 secs Computing kpt #: 138 total cpu time spent up to now is 82.2 secs Computing kpt #: 139 total cpu time spent up to now is 82.8 secs Computing kpt #: 140 total cpu time spent up to now is 83.4 secs Computing kpt #: 141 total cpu time spent up to now is 84.1 secs Computing kpt #: 142 total cpu time spent up to now is 84.7 secs Computing kpt #: 143 total cpu time spent up to now is 85.3 secs Computing kpt #: 144 total cpu time spent up to now is 86.0 secs Computing kpt #: 145 total cpu time spent up to now is 86.6 secs Computing kpt #: 146 total cpu time spent up to now is 87.3 secs Computing kpt #: 147 total cpu time spent up to now is 87.9 secs Computing kpt #: 148 total cpu time spent up to now is 88.5 secs Computing kpt #: 149 total cpu time spent up to now is 89.2 secs Computing kpt #: 150 total cpu time spent up to now is 89.8 secs Computing kpt #: 151 total cpu time spent up to now is 90.5 secs Computing kpt #: 152 total cpu time spent up to now is 91.2 secs Computing kpt #: 153 total cpu time spent up to now is 91.9 secs Computing kpt #: 154 total cpu time spent up to now is 92.5 secs Computing kpt #: 155 total cpu time spent up to now is 93.2 secs Computing kpt #: 156 total cpu time spent up to now is 93.8 secs Computing kpt #: 157 total cpu time spent up to now is 94.3 secs Computing kpt #: 158 total cpu time spent up to now is 94.9 secs Computing kpt #: 159 total cpu time spent up to now is 95.7 secs Computing kpt #: 160 total cpu time spent up to now is 96.3 secs Computing kpt #: 161 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 97.9 secs Computing kpt #: 162 total cpu time spent up to now is 98.6 secs Computing kpt #: 163 total cpu time spent up to now is 99.3 secs Computing kpt #: 164 total cpu time spent up to now is 100.1 secs Computing kpt #: 165 total cpu time spent up to now is 100.7 secs Computing kpt #: 166 total cpu time spent up to now is 101.4 secs Computing kpt #: 167 total cpu time spent up to now is 102.2 secs Computing kpt #: 168 total cpu time spent up to now is 102.9 secs Computing kpt #: 169 total cpu time spent up to now is 103.7 secs Computing kpt #: 170 total cpu time spent up to now is 104.2 secs Computing kpt #: 171 total cpu time spent up to now is 104.9 secs Computing kpt #: 172 total cpu time spent up to now is 105.6 secs Computing kpt #: 173 total cpu time spent up to now is 106.2 secs Computing kpt #: 174 total cpu time spent up to now is 106.9 secs Computing kpt #: 175 total cpu time spent up to now is 107.7 secs Computing kpt #: 176 total cpu time spent up to now is 108.3 secs Computing kpt #: 177 total cpu time spent up to now is 108.9 secs Computing kpt #: 178 total cpu time spent up to now is 109.5 secs Computing kpt #: 179 total cpu time spent up to now is 110.1 secs Computing kpt #: 180 total cpu time spent up to now is 110.7 secs Computing kpt #: 181 total cpu time spent up to now is 111.3 secs Computing kpt #: 182 total cpu time spent up to now is 111.8 secs Computing kpt #: 183 total cpu time spent up to now is 112.3 secs Computing kpt #: 184 total cpu time spent up to now is 113.0 secs Computing kpt #: 185 total cpu time spent up to now is 113.6 secs Computing kpt #: 186 total cpu time spent up to now is 114.3 secs Computing kpt #: 187 total cpu time spent up to now is 114.9 secs Computing kpt #: 188 total cpu time spent up to now is 115.5 secs Computing kpt #: 189 total cpu time spent up to now is 116.1 secs Computing kpt #: 190 total cpu time spent up to now is 116.6 secs Computing kpt #: 191 total cpu time spent up to now is 117.2 secs Computing kpt #: 192 total cpu time spent up to now is 117.8 secs Computing kpt #: 193 total cpu time spent up to now is 118.4 secs Computing kpt #: 194 total cpu time spent up to now is 119.0 secs Computing kpt #: 195 total cpu time spent up to now is 119.5 secs Computing kpt #: 196 total cpu time spent up to now is 120.2 secs Computing kpt #: 197 total cpu time spent up to now is 120.8 secs Computing kpt #: 198 total cpu time spent up to now is 121.4 secs Computing kpt #: 199 total cpu time spent up to now is 122.0 secs Computing kpt #: 200 total cpu time spent up to now is 122.6 secs Computing kpt #: 201 total cpu time spent up to now is 123.2 secs Computing kpt #: 202 total cpu time spent up to now is 123.8 secs Computing kpt #: 203 total cpu time spent up to now is 124.4 secs Computing kpt #: 204 total cpu time spent up to now is 125.0 secs Computing kpt #: 205 total cpu time spent up to now is 125.5 secs Computing kpt #: 206 total cpu time spent up to now is 126.1 secs Computing kpt #: 207 total cpu time spent up to now is 126.6 secs Computing kpt #: 208 total cpu time spent up to now is 127.2 secs Computing kpt #: 209 total cpu time spent up to now is 127.8 secs Computing kpt #: 210 total cpu time spent up to now is 128.4 secs Computing kpt #: 211 total cpu time spent up to now is 128.9 secs Computing kpt #: 212 total cpu time spent up to now is 129.5 secs Computing kpt #: 213 total cpu time spent up to now is 130.0 secs Computing kpt #: 214 total cpu time spent up to now is 130.6 secs Computing kpt #: 215 total cpu time spent up to now is 131.2 secs Computing kpt #: 216 total cpu time spent up to now is 131.8 secs Computing kpt #: 217 total cpu time spent up to now is 132.4 secs Computing kpt #: 218 total cpu time spent up to now is 133.0 secs Computing kpt #: 219 total cpu time spent up to now is 133.7 secs Computing kpt #: 220 total cpu time spent up to now is 134.3 secs Computing kpt #: 221 total cpu time spent up to now is 134.9 secs Computing kpt #: 222 total cpu time spent up to now is 135.4 secs Computing kpt #: 223 total cpu time spent up to now is 136.0 secs Computing kpt #: 224 total cpu time spent up to now is 136.6 secs Computing kpt #: 225 total cpu time spent up to now is 137.2 secs Computing kpt #: 226 total cpu time spent up to now is 137.9 secs Computing kpt #: 227 total cpu time spent up to now is 138.5 secs Computing kpt #: 228 total cpu time spent up to now is 139.1 secs Computing kpt #: 229 total cpu time spent up to now is 139.6 secs Computing kpt #: 230 total cpu time spent up to now is 140.2 secs Computing kpt #: 231 total cpu time spent up to now is 140.8 secs Computing kpt #: 232 total cpu time spent up to now is 141.4 secs Computing kpt #: 233 total cpu time spent up to now is 142.1 secs Computing kpt #: 234 total cpu time spent up to now is 142.6 secs Computing kpt #: 235 total cpu time spent up to now is 144.0 secs Computing kpt #: 236 total cpu time spent up to now is 144.6 secs Computing kpt #: 237 total cpu time spent up to now is 145.2 secs Computing kpt #: 238 total cpu time spent up to now is 145.8 secs Computing kpt #: 239 total cpu time spent up to now is 146.3 secs Computing kpt #: 240 total cpu time spent up to now is 146.9 secs Computing kpt #: 241 total cpu time spent up to now is 147.4 secs Computing kpt #: 242 total cpu time spent up to now is 148.0 secs Computing kpt #: 243 total cpu time spent up to now is 148.6 secs Computing kpt #: 244 total cpu time spent up to now is 149.2 secs Computing kpt #: 245 total cpu time spent up to now is 149.7 secs Computing kpt #: 246 total cpu time spent up to now is 150.3 secs Computing kpt #: 247 total cpu time spent up to now is 150.8 secs Computing kpt #: 248 total cpu time spent up to now is 151.4 secs Computing kpt #: 249 total cpu time spent up to now is 152.0 secs Computing kpt #: 250 total cpu time spent up to now is 152.4 secs Computing kpt #: 251 total cpu time spent up to now is 152.9 secs Computing kpt #: 252 total cpu time spent up to now is 153.4 secs Computing kpt #: 253 total cpu time spent up to now is 154.0 secs Computing kpt #: 254 total cpu time spent up to now is 154.5 secs Computing kpt #: 255 total cpu time spent up to now is 155.1 secs Computing kpt #: 256 total cpu time spent up to now is 155.6 secs Computing kpt #: 257 total cpu time spent up to now is 156.1 secs Computing kpt #: 258 total cpu time spent up to now is 156.7 secs Computing kpt #: 259 total cpu time spent up to now is 157.2 secs Computing kpt #: 260 total cpu time spent up to now is 157.8 secs Computing kpt #: 261 total cpu time spent up to now is 158.4 secs Computing kpt #: 262 total cpu time spent up to now is 158.9 secs Computing kpt #: 263 total cpu time spent up to now is 159.5 secs Computing kpt #: 264 total cpu time spent up to now is 160.0 secs Computing kpt #: 265 total cpu time spent up to now is 160.6 secs Computing kpt #: 266 total cpu time spent up to now is 161.2 secs Computing kpt #: 267 total cpu time spent up to now is 161.8 secs Computing kpt #: 268 total cpu time spent up to now is 162.3 secs Computing kpt #: 269 total cpu time spent up to now is 162.9 secs Computing kpt #: 270 total cpu time spent up to now is 163.4 secs Computing kpt #: 271 total cpu time spent up to now is 164.0 secs Computing kpt #: 272 total cpu time spent up to now is 164.6 secs Computing kpt #: 273 total cpu time spent up to now is 165.1 secs Computing kpt #: 274 total cpu time spent up to now is 165.7 secs Computing kpt #: 275 total cpu time spent up to now is 166.2 secs Computing kpt #: 276 total cpu time spent up to now is 166.8 secs Computing kpt #: 277 total cpu time spent up to now is 167.4 secs Computing kpt #: 278 total cpu time spent up to now is 167.9 secs Computing kpt #: 279 total cpu time spent up to now is 168.4 secs Computing kpt #: 280 total cpu time spent up to now is 169.0 secs Computing kpt #: 281 total cpu time spent up to now is 169.5 secs Computing kpt #: 282 total cpu time spent up to now is 170.0 secs Computing kpt #: 283 total cpu time spent up to now is 170.6 secs Computing kpt #: 284 total cpu time spent up to now is 171.2 secs Computing kpt #: 285 total cpu time spent up to now is 171.7 secs Computing kpt #: 286 total cpu time spent up to now is 172.2 secs Computing kpt #: 287 total cpu time spent up to now is 172.8 secs Computing kpt #: 288 total cpu time spent up to now is 173.4 secs Computing kpt #: 289 total cpu time spent up to now is 173.9 secs Computing kpt #: 290 total cpu time spent up to now is 174.4 secs Computing kpt #: 291 total cpu time spent up to now is 175.0 secs Computing kpt #: 292 total cpu time spent up to now is 175.6 secs Computing kpt #: 293 total cpu time spent up to now is 176.1 secs Computing kpt #: 294 total cpu time spent up to now is 176.6 secs Computing kpt #: 295 total cpu time spent up to now is 177.2 secs Computing kpt #: 296 total cpu time spent up to now is 177.8 secs Computing kpt #: 297 total cpu time spent up to now is 178.4 secs Computing kpt #: 298 total cpu time spent up to now is 179.0 secs Computing kpt #: 299 total cpu time spent up to now is 179.6 secs Computing kpt #: 300 total cpu time spent up to now is 180.2 secs Computing kpt #: 301 total cpu time spent up to now is 180.8 secs Computing kpt #: 302 total cpu time spent up to now is 181.3 secs Computing kpt #: 303 total cpu time spent up to now is 181.9 secs Computing kpt #: 304 total cpu time spent up to now is 182.4 secs Computing kpt #: 305 total cpu time spent up to now is 183.0 secs Computing kpt #: 306 total cpu time spent up to now is 183.6 secs Computing kpt #: 307 total cpu time spent up to now is 184.2 secs Computing kpt #: 308 total cpu time spent up to now is 184.8 secs Computing kpt #: 309 total cpu time spent up to now is 185.4 secs Computing kpt #: 310 total cpu time spent up to now is 186.0 secs Computing kpt #: 311 total cpu time spent up to now is 186.6 secs Computing kpt #: 312 total cpu time spent up to now is 187.2 secs Computing kpt #: 313 total cpu time spent up to now is 187.8 secs Computing kpt #: 314 total cpu time spent up to now is 188.4 secs Computing kpt #: 315 total cpu time spent up to now is 188.9 secs Computing kpt #: 316 total cpu time spent up to now is 189.5 secs Computing kpt #: 317 total cpu time spent up to now is 190.1 secs Computing kpt #: 318 total cpu time spent up to now is 190.6 secs Computing kpt #: 319 total cpu time spent up to now is 191.2 secs Computing kpt #: 320 total cpu time spent up to now is 191.8 secs Computing kpt #: 321 total cpu time spent up to now is 192.4 secs Computing kpt #: 322 total cpu time spent up to now is 192.9 secs Computing kpt #: 323 total cpu time spent up to now is 193.5 secs Computing kpt #: 324 total cpu time spent up to now is 194.0 secs Computing kpt #: 325 total cpu time spent up to now is 194.6 secs Computing kpt #: 326 total cpu time spent up to now is 195.2 secs Computing kpt #: 327 total cpu time spent up to now is 195.8 secs Computing kpt #: 328 total cpu time spent up to now is 196.4 secs Computing kpt #: 329 total cpu time spent up to now is 197.0 secs Computing kpt #: 330 total cpu time spent up to now is 197.6 secs Computing kpt #: 331 total cpu time spent up to now is 198.2 secs Computing kpt #: 332 total cpu time spent up to now is 198.9 secs Computing kpt #: 333 total cpu time spent up to now is 199.5 secs Computing kpt #: 334 total cpu time spent up to now is 200.1 secs Computing kpt #: 335 total cpu time spent up to now is 200.7 secs Computing kpt #: 336 total cpu time spent up to now is 201.3 secs Computing kpt #: 337 total cpu time spent up to now is 201.9 secs Computing kpt #: 338 total cpu time spent up to now is 202.5 secs Computing kpt #: 339 total cpu time spent up to now is 203.1 secs Computing kpt #: 340 total cpu time spent up to now is 203.7 secs Computing kpt #: 341 total cpu time spent up to now is 204.3 secs Computing kpt #: 342 total cpu time spent up to now is 204.9 secs Computing kpt #: 343 total cpu time spent up to now is 205.5 secs Computing kpt #: 344 total cpu time spent up to now is 206.1 secs Computing kpt #: 345 total cpu time spent up to now is 206.7 secs Computing kpt #: 346 total cpu time spent up to now is 207.3 secs Computing kpt #: 347 total cpu time spent up to now is 207.9 secs Computing kpt #: 348 total cpu time spent up to now is 208.5 secs Computing kpt #: 349 total cpu time spent up to now is 209.1 secs Computing kpt #: 350 total cpu time spent up to now is 209.7 secs Computing kpt #: 351 total cpu time spent up to now is 210.3 secs Computing kpt #: 352 total cpu time spent up to now is 210.9 secs Computing kpt #: 353 total cpu time spent up to now is 211.5 secs Computing kpt #: 354 total cpu time spent up to now is 212.1 secs Computing kpt #: 355 total cpu time spent up to now is 212.7 secs Computing kpt #: 356 total cpu time spent up to now is 213.4 secs Computing kpt #: 357 total cpu time spent up to now is 214.2 secs Computing kpt #: 358 total cpu time spent up to now is 215.0 secs Computing kpt #: 359 total cpu time spent up to now is 215.6 secs Computing kpt #: 360 total cpu time spent up to now is 216.4 secs Computing kpt #: 361 total cpu time spent up to now is 216.9 secs Computing kpt #: 362 total cpu time spent up to now is 217.4 secs Computing kpt #: 363 total cpu time spent up to now is 218.1 secs Computing kpt #: 364 total cpu time spent up to now is 218.9 secs Computing kpt #: 365 total cpu time spent up to now is 219.4 secs Computing kpt #: 366 total cpu time spent up to now is 220.0 secs Computing kpt #: 367 total cpu time spent up to now is 220.5 secs Computing kpt #: 368 total cpu time spent up to now is 221.0 secs Computing kpt #: 369 total cpu time spent up to now is 221.6 secs Computing kpt #: 370 total cpu time spent up to now is 222.1 secs Computing kpt #: 371 total cpu time spent up to now is 222.7 secs Computing kpt #: 372 total cpu time spent up to now is 223.8 secs Computing kpt #: 373 total cpu time spent up to now is 224.6 secs Computing kpt #: 374 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 226.2 secs Computing kpt #: 375 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 227.7 secs Computing kpt #: 376 total cpu time spent up to now is 228.5 secs Computing kpt #: 377 total cpu time spent up to now is 229.2 secs Computing kpt #: 378 total cpu time spent up to now is 229.9 secs Computing kpt #: 379 total cpu time spent up to now is 230.6 secs Computing kpt #: 380 total cpu time spent up to now is 231.2 secs Computing kpt #: 381 total cpu time spent up to now is 231.9 secs Computing kpt #: 382 total cpu time spent up to now is 232.6 secs Computing kpt #: 383 total cpu time spent up to now is 233.2 secs Computing kpt #: 384 total cpu time spent up to now is 233.8 secs Computing kpt #: 385 total cpu time spent up to now is 234.4 secs Computing kpt #: 386 total cpu time spent up to now is 235.1 secs Computing kpt #: 387 total cpu time spent up to now is 235.7 secs Computing kpt #: 388 total cpu time spent up to now is 236.3 secs Computing kpt #: 389 total cpu time spent up to now is 236.9 secs Computing kpt #: 390 total cpu time spent up to now is 237.5 secs Computing kpt #: 391 total cpu time spent up to now is 238.1 secs Computing kpt #: 392 total cpu time spent up to now is 238.6 secs Computing kpt #: 393 total cpu time spent up to now is 239.3 secs Computing kpt #: 394 total cpu time spent up to now is 239.9 secs Computing kpt #: 395 total cpu time spent up to now is 240.5 secs Computing kpt #: 396 total cpu time spent up to now is 241.1 secs Computing kpt #: 397 total cpu time spent up to now is 241.7 secs Computing kpt #: 398 total cpu time spent up to now is 242.3 secs Computing kpt #: 399 total cpu time spent up to now is 242.9 secs Computing kpt #: 400 total cpu time spent up to now is 243.5 secs Computing kpt #: 401 total cpu time spent up to now is 244.1 secs Computing kpt #: 402 total cpu time spent up to now is 244.7 secs Computing kpt #: 403 total cpu time spent up to now is 245.3 secs Computing kpt #: 404 total cpu time spent up to now is 245.9 secs Computing kpt #: 405 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 247.4 secs Computing kpt #: 406 total cpu time spent up to now is 248.2 secs Computing kpt #: 407 total cpu time spent up to now is 248.8 secs Computing kpt #: 408 total cpu time spent up to now is 249.5 secs Computing kpt #: 409 total cpu time spent up to now is 250.4 secs Computing kpt #: 410 total cpu time spent up to now is 250.9 secs Computing kpt #: 411 total cpu time spent up to now is 251.6 secs Computing kpt #: 412 total cpu time spent up to now is 252.2 secs Computing kpt #: 413 total cpu time spent up to now is 252.8 secs Computing kpt #: 414 total cpu time spent up to now is 253.4 secs Computing kpt #: 415 total cpu time spent up to now is 254.0 secs Computing kpt #: 416 total cpu time spent up to now is 254.6 secs Computing kpt #: 417 total cpu time spent up to now is 255.2 secs Computing kpt #: 418 total cpu time spent up to now is 255.8 secs Computing kpt #: 419 total cpu time spent up to now is 256.4 secs Computing kpt #: 420 total cpu time spent up to now is 257.0 secs Computing kpt #: 421 total cpu time spent up to now is 257.7 secs Computing kpt #: 422 total cpu time spent up to now is 258.3 secs Computing kpt #: 423 total cpu time spent up to now is 258.9 secs Computing kpt #: 424 total cpu time spent up to now is 259.5 secs Computing kpt #: 425 total cpu time spent up to now is 260.1 secs Computing kpt #: 426 total cpu time spent up to now is 260.6 secs Computing kpt #: 427 total cpu time spent up to now is 261.2 secs Computing kpt #: 428 total cpu time spent up to now is 261.8 secs Computing kpt #: 429 total cpu time spent up to now is 262.3 secs Computing kpt #: 430 total cpu time spent up to now is 262.9 secs Computing kpt #: 431 total cpu time spent up to now is 263.4 secs Computing kpt #: 432 total cpu time spent up to now is 264.0 secs Computing kpt #: 433 total cpu time spent up to now is 264.6 secs Computing kpt #: 434 total cpu time spent up to now is 265.1 secs Computing kpt #: 435 total cpu time spent up to now is 265.7 secs Computing kpt #: 436 total cpu time spent up to now is 266.2 secs Computing kpt #: 437 total cpu time spent up to now is 266.8 secs Computing kpt #: 438 total cpu time spent up to now is 267.3 secs Computing kpt #: 439 total cpu time spent up to now is 268.0 secs Computing kpt #: 440 total cpu time spent up to now is 268.7 secs Computing kpt #: 441 total cpu time spent up to now is 269.4 secs Computing kpt #: 442 total cpu time spent up to now is 269.9 secs Computing kpt #: 443 total cpu time spent up to now is 270.6 secs Computing kpt #: 444 total cpu time spent up to now is 271.3 secs Computing kpt #: 445 total cpu time spent up to now is 272.0 secs Computing kpt #: 446 total cpu time spent up to now is 272.6 secs Computing kpt #: 447 total cpu time spent up to now is 273.2 secs Computing kpt #: 448 total cpu time spent up to now is 273.9 secs Computing kpt #: 449 total cpu time spent up to now is 274.4 secs Computing kpt #: 450 total cpu time spent up to now is 275.1 secs Computing kpt #: 451 total cpu time spent up to now is 275.8 secs Computing kpt #: 452 total cpu time spent up to now is 276.4 secs Computing kpt #: 453 total cpu time spent up to now is 277.1 secs Computing kpt #: 454 total cpu time spent up to now is 277.8 secs Computing kpt #: 455 total cpu time spent up to now is 278.3 secs Computing kpt #: 456 total cpu time spent up to now is 278.9 secs Computing kpt #: 457 total cpu time spent up to now is 279.5 secs Computing kpt #: 458 total cpu time spent up to now is 280.1 secs Computing kpt #: 459 total cpu time spent up to now is 280.6 secs Computing kpt #: 460 total cpu time spent up to now is 281.3 secs ethr = 2.38E-08, avg # of iterations = 19.5 total cpu time spent up to now is 281.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2721 PWs) bands (ev): -13.6758 -13.6758 -12.2830 -12.2830 -12.2621 -12.2621 -11.8625 -11.8625 -0.2572 -0.2572 -0.1856 -0.1856 0.5895 0.5895 1.2071 1.2071 1.4136 1.4136 1.7933 1.7933 2.0496 2.0496 2.4455 2.4455 2.6696 2.6696 3.3165 3.3165 3.5653 3.5653 3.6891 3.6891 4.6596 4.6596 4.6919 4.6919 5.0241 5.0241 5.0324 5.0324 5.2845 5.2845 5.8895 5.8895 5.9153 5.9153 6.2086 6.2086 6.7752 6.7752 k = 0.0048 0.0196-0.0000 ( 2719 PWs) bands (ev): -13.6753 -13.6753 -12.2831 -12.2831 -12.2619 -12.2618 -11.8623 -11.8622 -0.2567 -0.2566 -0.1863 -0.1863 0.5890 0.5891 1.2070 1.2072 1.4102 1.4103 1.7943 1.7948 2.0528 2.0530 2.4424 2.4428 2.6694 2.6695 3.3152 3.3156 3.5579 3.5594 3.6897 3.6898 4.6371 4.6676 4.6911 4.7204 5.0252 5.0254 5.0320 5.0328 5.2848 5.2852 5.8890 5.8895 5.9150 5.9151 6.2085 6.2090 6.7743 6.7743 k = 0.0096 0.0391-0.0000 ( 2723 PWs) bands (ev): -13.6736 -13.6736 -12.2834 -12.2833 -12.2612 -12.2612 -11.8615 -11.8614 -0.2551 -0.2549 -0.1883 -0.1883 0.5877 0.5878 1.2066 1.2070 1.4003 1.4004 1.7977 1.7986 2.0622 2.0626 2.4335 2.4343 2.6690 2.6692 3.3116 3.3125 3.5377 3.5405 3.6915 3.6916 4.6208 4.6517 4.7265 4.7551 5.0281 5.0287 5.0322 5.0333 5.2860 5.2869 5.8880 5.8891 5.9141 5.9144 6.2088 6.2096 6.7716 6.7716 k = 0.0145 0.0587-0.0000 ( 2719 PWs) bands (ev): -13.6709 -13.6708 -12.2837 -12.2837 -12.2602 -12.2601 -11.8602 -11.8601 -0.2524 -0.2521 -0.1917 -0.1916 0.5854 0.5856 1.2062 1.2069 1.3845 1.3846 1.8034 1.8047 2.0772 2.0778 2.4191 2.4203 2.6683 2.6687 3.3058 3.3072 3.5060 3.5098 3.6946 3.6947 4.6105 4.6407 4.7680 4.7952 5.0291 5.0312 5.0365 5.0370 5.2883 5.2896 5.8867 5.8883 5.9125 5.9130 6.2094 6.2107 6.7671 6.7671 k = 0.0193 0.0783-0.0000 ( 2725 PWs) bands (ev): -13.6670 -13.6669 -12.2843 -12.2842 -12.2588 -12.2587 -11.8583 -11.8582 -0.2486 -0.2483 -0.1965 -0.1964 0.5822 0.5825 1.2060 1.2068 1.3638 1.3639 1.8110 1.8127 2.0969 2.0976 2.3995 2.4012 2.6673 2.6679 3.2978 3.3000 3.4645 3.4687 3.6989 3.6990 4.6054 4.6344 4.8138 4.8394 5.0282 5.0312 5.0448 5.0452 5.2916 5.2932 5.8849 5.8870 5.9104 5.9112 6.2103 6.2120 6.7611 6.7611 k = 0.0241 0.0978-0.0000 ( 2725 PWs) bands (ev): -13.6620 -13.6619 -12.2850 -12.2848 -12.2569 -12.2568 -11.8560 -11.8558 -0.2437 -0.2433 -0.2027 -0.2026 0.5780 0.5784 1.2062 1.2072 1.3391 1.3392 1.8202 1.8223 2.1202 2.1211 2.3755 2.3775 2.6659 2.6667 3.2876 3.2909 3.4153 3.4194 3.7041 3.7042 4.6049 4.6325 4.8626 4.8866 5.0269 5.0305 5.0555 5.0560 5.2960 5.2980 5.8827 5.8853 5.9077 5.9088 6.2116 6.2135 6.7536 6.7537 k = 0.0289 0.1174-0.0000 ( 2729 PWs) bands (ev): -13.6560 -13.6558 -12.2858 -12.2856 -12.2546 -12.2545 -11.8531 -11.8529 -0.2378 -0.2373 -0.2105 -0.2104 0.5727 0.5732 1.2070 1.2082 1.3115 1.3115 1.8304 1.8329 2.1462 2.1471 2.3478 2.3502 2.6641 2.6650 3.2747 3.2802 3.3610 3.3637 3.7100 3.7101 4.6078 4.6338 4.9127 4.9353 5.0254 5.0296 5.0681 5.0689 5.3015 5.3037 5.8802 5.8833 5.9045 5.9060 6.2131 6.2154 6.7447 6.7449 k = 0.0337 0.1370-0.0000 ( 2733 PWs) bands (ev): -13.6489 -13.6487 -12.2868 -12.2866 -12.2519 -12.2518 -11.8497 -11.8495 -0.2309 -0.2303 -0.2198 -0.2197 0.5663 0.5668 1.2087 1.2099 1.2816 1.2817 1.8409 1.8439 2.1739 2.1748 2.3176 2.3201 2.6615 2.6628 3.2560 3.2678 3.3035 3.3065 3.7163 3.7164 4.6136 4.6382 4.9629 4.9841 5.0241 5.0284 5.0826 5.0837 5.3081 5.3106 5.8774 5.8811 5.9006 5.9028 6.2149 6.2174 6.7346 6.7350 k = 0.0386 0.1565-0.0000 ( 2729 PWs) bands (ev): -13.6407 -13.6405 -12.2880 -12.2878 -12.2489 -12.2487 -11.8459 -11.8456 -0.2318 -0.2316 -0.2221 -0.2215 0.5588 0.5593 1.2113 1.2127 1.2504 1.2505 1.8509 1.8542 2.2025 2.2029 2.2866 2.2888 2.6582 2.6598 3.2174 3.2377 3.2569 3.2677 3.7227 3.7230 4.6219 4.6450 5.0118 5.0191 5.0272 5.0356 5.0987 5.1005 5.3160 5.3186 5.8743 5.8785 5.8962 5.8993 6.2170 6.2196 6.7235 6.7241 k = 0.0434 0.1761-0.0000 ( 2733 PWs) bands (ev): -13.6314 -13.6312 -12.2894 -12.2891 -12.2454 -12.2452 -11.8415 -11.8413 -0.2448 -0.2447 -0.2131 -0.2124 0.5501 0.5507 1.2123 1.2143 1.2206 1.2213 1.8589 1.8626 2.2269 2.2307 2.2585 2.2602 2.6539 2.6559 3.1580 3.1729 3.2422 3.2470 3.7290 3.7294 4.6321 4.6537 5.0188 5.0255 5.0575 5.0793 5.1168 5.1196 5.3253 5.3279 5.8708 5.8758 5.8913 5.8957 6.2193 6.2219 6.7113 6.7123 k = 0.0482 0.1957-0.0000 ( 2737 PWs) bands (ev): -13.6211 -13.6209 -12.2909 -12.2906 -12.2416 -12.2414 -11.8367 -11.8364 -0.2601 -0.2600 -0.2029 -0.2021 0.5402 0.5408 1.1846 1.1852 1.2215 1.2224 1.8635 1.8675 2.2182 2.2269 2.2622 2.2688 2.6484 2.6508 3.0930 3.1064 3.2280 3.2306 3.7349 3.7354 4.6440 4.6641 5.0169 5.0238 5.0972 5.1174 5.1403 5.1427 5.3363 5.3387 5.8668 5.8727 5.8861 5.8921 6.2217 6.2243 6.6983 6.6996 k = 0.0530 0.2152-0.0000 ( 2733 PWs) bands (ev): -13.6098 -13.6096 -12.2927 -12.2923 -12.2374 -12.2372 -11.8315 -11.8312 -0.2775 -0.2774 -0.1916 -0.1906 0.5293 0.5299 1.1523 1.1528 1.2276 1.2285 1.8625 1.8667 2.1960 2.2034 2.2899 2.2953 2.6414 2.6444 3.0267 3.0398 3.2139 3.2154 3.7401 3.7407 4.6572 4.6760 5.0147 5.0219 5.1280 5.1425 5.1717 5.1738 5.3492 5.3511 5.8621 5.8691 5.8807 5.8887 6.2242 6.2266 6.6845 6.6863 k = 0.0579 0.2348-0.0000 ( 2739 PWs) bands (ev): -13.5975 -13.5973 -12.2946 -12.2943 -12.2329 -12.2326 -11.8258 -11.8255 -0.2973 -0.2973 -0.1792 -0.1781 0.5172 0.5179 1.1201 1.1207 1.2346 1.2355 1.8543 1.8582 2.1797 2.1867 2.3169 2.3224 2.6327 2.6364 2.9606 2.9741 3.2002 3.2010 3.7443 3.7451 4.6714 4.6890 5.0124 5.0197 5.1513 5.1619 5.2040 5.2088 5.3644 5.3655 5.8567 5.8645 5.8759 5.8859 6.2267 6.2289 6.6700 6.6722 k = 0.0627 0.2544-0.0000 ( 2739 PWs) bands (ev): -13.5843 -13.5840 -12.2968 -12.2964 -12.2280 -12.2278 -11.8198 -11.8194 -0.3195 -0.3195 -0.1657 -0.1646 0.5043 0.5050 1.0884 1.0891 1.2420 1.2428 1.8380 1.8413 2.1723 2.1788 2.3425 2.3485 2.6219 2.6266 2.8957 2.9099 3.1874 3.1877 3.7473 3.7484 4.6865 4.7029 5.0101 5.0176 5.1710 5.1800 5.2353 5.2403 5.3822 5.3823 5.8503 5.8584 5.8721 5.8837 6.2292 6.2311 6.6547 6.6575 k = 0.0675 0.2739-0.0000 ( 2741 PWs) bands (ev): -13.5701 -13.5697 -12.2992 -12.2988 -12.2228 -12.2225 -11.8133 -11.8129 -0.3443 -0.3443 -0.1512 -0.1500 0.4906 0.4914 1.0575 1.0583 1.2491 1.2496 1.8147 1.8171 2.1737 2.1797 2.3662 2.3728 2.6088 2.6145 2.8326 2.8480 3.1756 3.1757 3.7488 3.7502 4.7023 4.7175 5.0079 5.0155 5.1887 5.1972 5.2630 5.2670 5.4014 5.4031 5.8430 5.8508 5.8694 5.8822 6.2315 6.2330 6.6387 6.6421 k = 0.0723 0.2935-0.0000 ( 2745 PWs) bands (ev): -13.5549 -13.5546 -12.3018 -12.3014 -12.2173 -12.2170 -11.8065 -11.8061 -0.3717 -0.3716 -0.1357 -0.1343 0.4763 0.4771 1.0275 1.0284 1.2547 1.2549 1.7870 1.7885 2.1827 2.1881 2.3874 2.3950 2.5929 2.6000 2.7721 2.7893 3.1652 3.1656 3.7487 3.7504 4.7186 4.7327 5.0057 5.0134 5.2050 5.2135 5.2865 5.2892 5.4232 5.4264 5.8348 5.8421 5.8672 5.8813 6.2336 6.2346 6.6220 6.6261 k = 0.0771 0.3131-0.0000 ( 2745 PWs) bands (ev): -13.5389 -13.5385 -12.3047 -12.3042 -12.2115 -12.2112 -11.7994 -11.7989 -0.4017 -0.4015 -0.1191 -0.1176 0.4614 0.4622 0.9984 0.9995 1.2573 1.2574 1.7584 1.7589 2.1974 2.2023 2.4056 2.4146 2.5738 2.5825 2.7152 2.7348 3.1566 3.1573 3.7466 3.7486 4.7354 4.7483 5.0037 5.0114 5.2200 5.2288 5.3059 5.3074 5.4472 5.4517 5.8258 5.8325 5.8656 5.8811 6.2353 6.2358 6.6047 6.6096 k = 0.0820 0.3326-0.0000 ( 2741 PWs) bands (ev): -13.5220 -13.5216 -12.3078 -12.3074 -12.2055 -12.2052 -11.7919 -11.7915 -0.4342 -0.4340 -0.1016 -0.0999 0.4462 0.4471 0.9704 0.9716 1.2548 1.2553 1.7321 1.7325 2.2162 2.2207 2.4199 2.4308 2.5511 2.5614 2.6634 2.6860 3.1500 3.1510 3.7423 3.7448 4.7525 4.7642 5.0018 5.0096 5.2336 5.2429 5.3219 5.3223 5.4730 5.4785 5.8160 5.8222 5.8643 5.8813 6.2366 6.2367 6.5867 6.5924 k = 0.0868 0.3522-0.0000 ( 2743 PWs) bands (ev): -13.5042 -13.5038 -12.3113 -12.3108 -12.1992 -12.1989 -11.7842 -11.7837 -0.4694 -0.4691 -0.0830 -0.0813 0.4308 0.4318 0.9434 0.9448 1.2455 1.2463 1.7112 1.7125 2.2378 2.2421 2.4290 2.4424 2.5244 2.5350 2.6196 2.6446 3.1456 3.1467 3.7358 3.7386 4.7696 4.7803 5.0001 5.0079 5.2459 5.2557 5.3347 5.3350 5.5002 5.5063 5.8054 5.8111 5.8632 5.8820 6.2369 6.2376 6.5680 6.5747 k = 0.0916 0.3718-0.0000 ( 2741 PWs) bands (ev): -13.4857 -13.4852 -12.3150 -12.3145 -12.1927 -12.1923 -11.7762 -11.7757 -0.5071 -0.5067 -0.0635 -0.0616 0.4155 0.4165 0.9174 0.9190 1.2278 1.2289 1.6990 1.7009 2.2616 2.2657 2.4305 2.4475 2.4944 2.5020 2.5872 2.6124 3.1434 3.1446 3.7268 3.7300 4.7868 4.7964 4.9986 5.0064 5.2567 5.2672 5.3452 5.3459 5.5283 5.5348 5.7942 5.7994 5.8624 5.8831 6.2367 6.2380 6.5488 6.5564 k = 0.0964 0.3913-0.0000 ( 2735 PWs) bands (ev): -13.4664 -13.4659 -12.3190 -12.3185 -12.1859 -12.1856 -11.7680 -11.7675 -0.5471 -0.5466 -0.0430 -0.0409 0.4002 0.4013 0.8923 0.8941 1.2013 1.2026 1.6966 1.6990 2.2869 2.2909 2.4210 2.4434 2.4638 2.4640 2.5677 2.5904 3.1434 3.1447 3.7152 3.7189 4.8042 4.8126 4.9974 5.0053 5.2661 5.2771 5.3540 5.3548 5.5572 5.5639 5.7824 5.7870 5.8620 5.8846 6.2361 6.2378 6.5289 6.5375 k = 0.1012 0.4109-0.0000 ( 2743 PWs) bands (ev): -13.4463 -13.4458 -12.3234 -12.3228 -12.1790 -12.1787 -11.7596 -11.7591 -0.5894 -0.5888 -0.0216 -0.0193 0.3852 0.3864 0.8680 0.8700 1.1667 1.1680 1.7037 1.7064 2.3131 2.3173 2.3985 2.4220 2.4313 2.4355 2.5590 2.5780 3.1455 3.1467 3.7009 3.7050 4.8212 4.8285 4.9964 5.0044 5.2740 5.2855 5.3614 5.3620 5.5865 5.5934 5.7700 5.7740 5.8619 5.8866 6.2350 6.2371 6.5084 6.5181 k = 0.1061 0.4305-0.0000 ( 2755 PWs) bands (ev): -13.4255 -13.4250 -12.3281 -12.3275 -12.1720 -12.1716 -11.7510 -11.7505 -0.6337 -0.6331 0.0007 0.0033 0.3705 0.3719 0.8445 0.8466 1.1254 1.1267 1.7193 1.7221 2.3399 2.3444 2.3678 2.3832 2.4076 2.4085 2.5573 2.5727 3.1494 3.1506 3.6839 3.6883 4.8379 4.8441 4.9957 5.0039 5.2806 5.2924 5.3677 5.3679 5.6160 5.6230 5.7569 5.7602 5.8627 5.8894 6.2334 6.2359 6.4872 6.4981 k = 0.1109 0.4501-0.0000 ( 2755 PWs) bands (ev): -13.4041 -13.4035 -12.3332 -12.3326 -12.1647 -12.1644 -11.7423 -11.7417 -0.6799 -0.6792 0.0238 0.0267 0.3564 0.3581 0.8217 0.8239 1.0793 1.0805 1.7419 1.7448 2.3350 2.3453 2.3639 2.3704 2.3789 2.3841 2.5591 2.5716 3.1551 3.1562 3.6640 3.6687 4.8544 4.8594 4.9955 5.0040 5.2859 5.2979 5.3725 5.3729 5.6451 5.6523 5.7437 5.7460 5.8649 5.8934 6.2317 6.2343 6.4657 6.4778 k = 0.1157 0.4696-0.0000 ( 2749 PWs) bands (ev): -13.3821 -13.3815 -12.3387 -12.3380 -12.1574 -12.1570 -11.7334 -11.7329 -0.7276 -0.7269 0.0477 0.0510 0.3430 0.3449 0.7994 0.8018 1.0298 1.0309 1.7701 1.7729 2.3029 2.3094 2.3432 2.3462 2.3984 2.4010 2.5621 2.5726 3.1623 3.1634 3.6413 3.6464 4.8705 4.8744 4.9957 5.0046 5.2899 5.3019 5.3760 5.3774 5.6724 5.6801 5.7310 5.7314 5.8694 5.8994 6.2297 6.2324 6.4438 6.4573 k = 0.1205 0.4892-0.0000 ( 2749 PWs) bands (ev): -13.3594 -13.3588 -12.3445 -12.3438 -12.1500 -12.1496 -11.7245 -11.7240 -0.7768 -0.7759 0.0723 0.0761 0.3303 0.3326 0.7776 0.7801 0.9783 0.9793 1.8027 1.8054 2.2724 2.2753 2.3074 2.3134 2.4260 2.4295 2.5654 2.5744 3.1709 3.1719 3.6160 3.6213 4.8861 4.8889 4.9962 5.0057 5.2928 5.3045 5.3784 5.3810 5.6923 5.7032 5.7179 5.7229 5.8781 5.9087 6.2277 6.2302 6.4216 6.4364 k = 0.1254 0.5088-0.0000 ( 2749 PWs) bands (ev): -13.3363 -13.3356 -12.3507 -12.3500 -12.1426 -12.1422 -11.7156 -11.7151 -0.8270 -0.8261 0.0975 0.1019 0.3185 0.3213 0.7562 0.7588 0.9258 0.9267 1.8389 1.8415 2.2425 2.2441 2.2696 2.2792 2.4543 2.4580 2.5685 2.5764 3.1807 3.1816 3.5879 3.5936 4.9012 4.9029 4.9972 5.0074 5.2947 5.3059 5.3800 5.3839 5.6905 5.6984 5.7266 5.7323 5.8928 5.9226 6.2257 6.2279 6.3991 6.4153 k = 0.1302 0.5283-0.0000 ( 2745 PWs) bands (ev): -13.3126 -13.3119 -12.3574 -12.3566 -12.1351 -12.1347 -11.7066 -11.7061 -0.8781 -0.8772 0.1230 0.1282 0.3079 0.3114 0.7350 0.7377 0.8731 0.8738 1.8781 1.8806 2.2097 2.2181 2.2301 2.2457 2.4825 2.4866 2.5714 2.5785 3.1914 3.1922 3.5574 3.5633 4.9155 4.9161 4.9987 5.0097 5.2956 5.3060 5.3807 5.3862 5.6772 5.6827 5.7394 5.7476 5.9151 5.9426 6.2238 6.2255 6.3765 6.3942 k = 0.1350 0.5479-0.0000 ( 2745 PWs) bands (ev): -13.2885 -13.2878 -12.3645 -12.3637 -12.1277 -12.1273 -11.6977 -11.6972 -0.9297 -0.9288 0.1485 0.1548 0.2987 0.3032 0.7140 0.7168 0.8208 0.8214 1.9197 1.9220 2.1749 2.1892 2.1943 2.2152 2.5107 2.5149 2.5741 2.5807 3.2030 3.2037 3.5245 3.5306 4.9285 4.9290 5.0008 5.0127 5.2956 5.3050 5.3806 5.3880 5.6616 5.6661 5.7459 5.7589 5.9449 5.9694 6.2220 6.2232 6.3539 6.3731 k = 0.1398 0.5675-0.0000 ( 2739 PWs) bands (ev): -13.2640 -13.2632 -12.3721 -12.3713 -12.1203 -12.1198 -11.6888 -11.6883 -0.9817 -0.9808 0.1730 0.1809 0.2916 0.2977 0.6932 0.6961 0.7695 0.7700 1.9633 1.9653 2.1372 2.1473 2.1726 2.1888 2.5384 2.5426 2.5768 2.5831 3.2153 3.2160 3.4895 3.4958 4.9402 4.9416 5.0037 5.0164 5.2948 5.3029 5.3799 5.3892 5.6451 5.6491 5.7471 5.7652 5.9809 6.0026 6.2206 6.2210 6.3314 6.3522 k = 0.1446 0.5870-0.0000 ( 2735 PWs) bands (ev): -13.2391 -13.2383 -12.3801 -12.3793 -12.1129 -12.1125 -11.6801 -11.6796 -1.0337 -1.0328 0.1950 0.2051 0.2881 0.2963 0.6725 0.6754 0.7196 0.7200 2.0084 2.0100 2.0969 2.1047 2.1530 2.1662 2.5650 2.5683 2.5803 2.5874 3.2281 3.2287 3.4525 3.4589 4.9508 4.9529 5.0074 5.0209 5.2933 5.2999 5.3785 5.3900 5.6279 5.6318 5.7444 5.7671 6.0214 6.0411 6.2189 6.2194 6.3092 6.3316 k = 0.1495 0.6066-0.0000 ( 2727 PWs) bands (ev): -13.2139 -13.2131 -12.3886 -12.3877 -12.1057 -12.1052 -11.6714 -11.6709 -1.0856 -1.0846 0.2116 0.2237 0.2918 0.3017 0.6518 0.6545 0.6717 0.6718 2.0500 2.0528 2.0567 2.0673 2.1352 2.1466 2.5797 2.5825 2.5951 2.6028 3.2413 3.2420 3.4139 3.4205 4.9605 4.9630 5.0122 5.0262 5.2910 5.2958 5.3765 5.3902 5.6105 5.6144 5.7390 5.7657 6.0651 6.0836 6.2170 6.2188 6.2875 6.3115 k = 0.1543 0.6262-0.0000 ( 2737 PWs) bands (ev): -13.1885 -13.1877 -12.3976 -12.3968 -12.0986 -12.0981 -11.6629 -11.6624 -1.1369 -1.1360 0.2208 0.2325 0.3066 0.3160 0.6244 0.6254 0.6318 0.6355 2.0112 2.0146 2.1010 2.1053 2.1194 2.1307 2.5834 2.5868 2.6205 2.6277 3.2547 3.2554 3.3738 3.3806 4.9690 4.9715 5.0180 5.0321 5.2880 5.2908 5.3739 5.3897 5.5926 5.5968 5.7315 5.7616 6.1106 6.1290 6.2155 6.2191 6.2663 6.2922 k = 0.1591 0.6457-0.0000 ( 2735 PWs) bands (ev): -13.1628 -13.1620 -12.4072 -12.4063 -12.0916 -12.0912 -11.6545 -11.6541 -1.1876 -1.1866 0.2234 0.2334 0.3303 0.3379 0.5819 0.5825 0.6110 0.6144 1.9668 1.9698 2.1048 2.1115 2.1533 2.1534 2.5867 2.5901 2.6459 2.6531 3.2682 3.2691 3.3327 3.3399 4.9767 4.9787 5.0248 5.0387 5.2844 5.2848 5.3706 5.3887 5.5744 5.5791 5.7226 5.7556 6.1554 6.1752 6.2158 6.2216 6.2462 6.2743 k = 0.1639 0.6653-0.0000 ( 2731 PWs) bands (ev): -13.1370 -13.1361 -12.4172 -12.4163 -12.0849 -12.0844 -11.6464 -11.6460 -1.2373 -1.2363 0.2223 0.2308 0.3582 0.3642 0.5424 0.5429 0.5906 0.5940 1.9217 1.9242 2.0922 2.0989 2.2014 2.2020 2.5901 2.5934 2.6703 2.6779 3.2796 3.2820 3.2917 3.3006 4.9835 4.9849 5.0323 5.0457 5.2780 5.2803 5.3667 5.3869 5.5561 5.5616 5.7128 5.7481 6.1902 6.2034 6.2258 6.2310 6.2373 6.2623 k = 0.1687 0.6849-0.0000 ( 2729 PWs) bands (ev): -13.1110 -13.1101 -12.4278 -12.4269 -12.0783 -12.0779 -11.6385 -11.6381 -1.2858 -1.2849 0.2192 0.2266 0.3867 0.3917 0.5081 0.5085 0.5703 0.5737 1.8761 1.8781 2.0810 2.0871 2.2505 2.2510 2.5939 2.5970 2.6936 2.7017 3.2482 3.2535 3.2972 3.2984 4.9896 4.9903 5.0401 5.0529 5.2704 5.2758 5.3620 5.3841 5.5378 5.5442 5.7024 5.7395 6.2007 6.2027 6.2129 6.2300 6.2847 6.2851 k = 0.1736 0.7044-0.0000 ( 2729 PWs) bands (ev): -13.0850 -13.0840 -12.4389 -12.4380 -12.0721 -12.0717 -11.6309 -11.6305 -1.3330 -1.3321 0.2148 0.2215 0.4098 0.4140 0.4844 0.4846 0.5502 0.5536 1.8300 1.8317 2.0712 2.0768 2.2998 2.3000 2.5980 2.6009 2.7154 2.7239 3.2061 3.2121 3.3109 3.3115 4.9950 4.9953 5.0481 5.0602 5.2620 5.2708 5.3564 5.3803 5.5195 5.5272 5.6917 5.7303 6.1865 6.2048 6.2086 6.2167 6.3326 6.3373 k = 0.1784 0.7240-0.0000 ( 2724 PWs) bands (ev): -13.0589 -13.0579 -12.4506 -12.4497 -12.0661 -12.0657 -11.6235 -11.6231 -1.3786 -1.3777 0.2094 0.2156 0.4123 0.4153 0.4864 0.4873 0.5304 0.5338 1.7835 1.7849 2.0628 2.0680 2.3487 2.3489 2.6023 2.6051 2.7352 2.7442 3.1648 3.1709 3.3246 3.3250 4.9998 5.0002 5.0560 5.0675 5.2530 5.2656 5.3500 5.3752 5.5014 5.5107 5.6813 5.7207 6.1703 6.1978 6.2068 6.2093 6.3850 6.3913 k = 0.1832 0.7436-0.0000 ( 2732 PWs) bands (ev): -13.0329 -13.0319 -12.4629 -12.4619 -12.0605 -12.0601 -11.6164 -11.6161 -1.4224 -1.4215 0.2027 0.2085 0.3971 0.3992 0.5060 0.5068 0.5180 0.5193 1.7367 1.7379 2.0558 2.0605 2.3968 2.3974 2.6068 2.6095 2.7524 2.7619 3.1251 3.1312 3.3379 3.3384 5.0042 5.0047 5.0635 5.0744 5.2433 5.2603 5.3424 5.3684 5.4835 5.4949 5.6712 5.7109 6.1547 6.1839 6.2053 6.2085 6.4391 6.4460 k = 0.1880 0.7631-0.0000 ( 2728 PWs) bands (ev): -13.0069 -13.0059 -12.4758 -12.4747 -12.0553 -12.0549 -11.6097 -11.6094 -1.4642 -1.4634 0.1945 0.2000 0.3804 0.3821 0.4895 0.4926 0.5472 0.5482 1.6898 1.6907 2.0502 2.0545 2.4439 2.4450 2.6113 2.6139 2.7662 2.7759 3.0885 3.0943 3.3510 3.3516 5.0087 5.0090 5.0707 5.0812 5.2332 5.2549 5.3338 5.3598 5.4660 5.4799 5.6621 5.7015 6.1399 6.1698 6.2039 6.2083 6.4939 6.5011 k = 0.1929 0.7827-0.0000 ( 2730 PWs) bands (ev): -12.9810 -12.9800 -12.4892 -12.4881 -12.0504 -12.0500 -11.6033 -11.6030 -1.5039 -1.5031 0.1849 0.1900 0.3672 0.3686 0.4701 0.4734 0.5831 0.5840 1.6427 1.6434 2.0459 2.0499 2.4897 2.4913 2.6158 2.6184 2.7750 2.7846 3.0566 3.0618 3.3637 3.3644 5.0126 5.0131 5.0776 5.0876 5.2231 5.2496 5.3240 5.3494 5.4490 5.4658 5.6541 5.6926 6.1260 6.1562 6.2025 6.2080 6.5488 6.5563 k = 0.1977 0.8023-0.0000 ( 2730 PWs) bands (ev): -12.9553 -12.9543 -12.5032 -12.5021 -12.0460 -12.0456 -11.5973 -11.5970 -1.5413 -1.5406 0.1742 0.1789 0.3585 0.3596 0.4509 0.4542 0.6206 0.6215 1.5955 1.5961 2.0430 2.0467 2.5337 2.5357 2.6202 2.6226 2.7770 2.7859 3.0322 3.0359 3.3759 3.3767 5.0158 5.0172 5.0840 5.0936 5.2131 5.2448 5.3131 5.3370 5.4325 5.4527 5.6473 5.6845 6.1129 6.1431 6.2011 6.2077 6.6036 6.6111 k = 0.2025 0.8218-0.0000 ( 2726 PWs) bands (ev): -12.9298 -12.9287 -12.5178 -12.5167 -12.0420 -12.0417 -11.5917 -11.5914 -1.5763 -1.5756 0.1628 0.1671 0.3542 0.3549 0.4320 0.4352 0.6594 0.6601 1.5483 1.5487 2.0414 2.0448 2.5753 2.5774 2.6246 2.6265 2.7704 2.7778 3.0173 3.0190 3.3876 3.3886 5.0185 5.0211 5.0901 5.0994 5.2036 5.2405 5.3012 5.3229 5.4168 5.4406 5.6421 5.6774 6.1006 6.1306 6.1997 6.2074 6.6577 6.6652 k = 0.2073 0.8414-0.0000 ( 2726 PWs) bands (ev): -12.9045 -12.9034 -12.5330 -12.5319 -12.0385 -12.0382 -11.5864 -11.5862 -1.6086 -1.6080 0.1515 0.1554 0.3537 0.3541 0.4134 0.4166 0.6990 0.6996 1.5011 1.5014 2.0411 2.0443 2.6134 2.6136 2.6303 2.6309 2.7550 2.7604 3.0119 3.0128 3.3987 3.3998 5.0203 5.0243 5.0958 5.1048 5.1953 5.2369 5.2885 5.3074 5.4020 5.4293 5.6382 5.6715 6.0889 6.1186 6.1983 6.2070 6.7107 6.7182 k = 0.2121 0.8610-0.0000 ( 2730 PWs) bands (ev): -12.8795 -12.8784 -12.5487 -12.5477 -12.0356 -12.0353 -11.5816 -11.5814 -1.6383 -1.6377 0.1409 0.1445 0.3563 0.3565 0.3952 0.3985 0.7395 0.7399 1.4540 1.4542 2.0421 2.0450 2.6273 2.6320 2.6485 2.6539 2.7335 2.7365 3.0136 3.0170 3.4091 3.4104 5.0212 5.0266 5.1011 5.1099 5.1885 5.2340 5.2751 5.2908 5.3881 5.4187 5.6358 5.6667 6.0777 6.1070 6.1968 6.2065 6.7622 6.7696 k = 0.2170 0.8805-0.0000 ( 2722 PWs) bands (ev): -12.8549 -12.8538 -12.5651 -12.5640 -12.0332 -12.0328 -11.5771 -11.5770 -1.6650 -1.6645 0.1318 0.1351 0.3614 0.3616 0.3777 0.3809 0.7807 0.7810 1.4070 1.4070 2.0443 2.0470 2.6305 2.6344 2.6699 2.6721 2.7159 2.7175 3.0224 3.0277 3.4188 3.4203 5.0213 5.0275 5.1063 5.1149 5.1839 5.2320 5.2615 5.2736 5.3754 5.4087 5.6348 5.6631 6.0669 6.0956 6.1953 6.2060 6.8115 6.8188 k = 0.2218 0.9001-0.0000 ( 2726 PWs) bands (ev): -12.8306 -12.8295 -12.5820 -12.5809 -12.0313 -12.0310 -11.5731 -11.5730 -1.6889 -1.6884 0.1245 0.1276 0.3597 0.3630 0.3695 0.3697 0.8225 0.8227 1.3601 1.3602 2.0475 2.0499 2.6319 2.6358 2.6551 2.6556 2.7241 2.7300 3.0360 3.0428 3.4277 3.4295 5.0201 5.0266 5.1116 5.1199 5.1818 5.2301 5.2484 5.2561 5.3640 5.3992 5.6350 5.6608 6.0564 6.0844 6.1937 6.2054 6.8581 6.8652 k = 0.2266 0.9197-0.0000 ( 2722 PWs) bands (ev): -12.8067 -12.8055 -12.5995 -12.5984 -12.0300 -12.0298 -11.5696 -11.5695 -1.7097 -1.7093 0.1194 0.1223 0.3435 0.3468 0.3783 0.3787 0.8649 0.8651 1.3133 1.3135 2.0516 2.0538 2.6216 2.6230 2.6339 2.6366 2.7447 2.7514 3.0533 3.0610 3.4359 3.4380 5.0179 5.0237 5.1171 5.1249 5.1825 5.2256 5.2388 5.2391 5.3542 5.3900 5.6365 5.6596 6.0460 6.0733 6.1922 6.2049 6.9012 6.9081 k = 0.2314 0.9392-0.0000 ( 2722 PWs) bands (ev): -12.7832 -12.7821 -12.6176 -12.6165 -12.0294 -12.0291 -11.5664 -11.5664 -1.7274 -1.7270 0.1167 0.1194 0.3276 0.3310 0.3891 0.3896 0.9079 0.9080 1.2668 1.2671 2.0563 2.0583 2.5871 2.5874 2.6332 2.6365 2.7634 2.7704 3.0731 3.0813 3.4432 3.4456 5.0147 5.0189 5.1232 5.1302 5.1859 5.2149 5.2220 5.2368 5.3461 5.3811 5.6389 5.6595 6.0357 6.0621 6.1906 6.2043 6.9398 6.9464 k = 0.2362 0.9588-0.0000 ( 2722 PWs) bands (ev): -12.7602 -12.7591 -12.6362 -12.6351 -12.0293 -12.0291 -11.5637 -11.5637 -1.7418 -1.7415 0.1166 0.1191 0.3125 0.3158 0.4012 0.4019 0.9514 0.9515 1.2205 1.2209 2.0615 2.0633 2.5513 2.5514 2.6325 2.6358 2.7785 2.7855 3.0945 3.1029 3.4498 3.4525 5.0106 5.0127 5.1297 5.1355 5.1915 5.2023 5.2062 5.2374 5.3401 5.3726 5.6422 5.6603 6.0253 6.0508 6.1891 6.2037 6.9731 6.9793 k = 0.2411 0.9784-0.0000 ( 2718 PWs) bands (ev): -12.7377 -12.7366 -12.6554 -12.6543 -12.0299 -12.0297 -11.5614 -11.5614 -1.7530 -1.7528 0.1192 0.1216 0.2981 0.3015 0.4146 0.4154 0.9954 0.9955 1.1746 1.1750 2.0668 2.0682 2.5155 2.5159 2.6315 2.6348 2.7896 2.7965 3.1169 3.1251 3.4555 3.4585 5.0054 5.0058 5.1366 5.1411 5.1891 5.1900 5.2018 5.2386 5.3366 5.3644 5.6463 5.6621 6.0148 6.0392 6.1877 6.2032 7.0001 7.0057 k = 0.2459 0.9979-0.0000 ( 2716 PWs) bands (ev): -12.7158 -12.7146 -12.6751 -12.6740 -12.0312 -12.0310 -11.5596 -11.5596 -1.7609 -1.7607 0.1246 0.1269 0.2847 0.2881 0.4289 0.4298 1.0399 1.0400 1.1289 1.1295 2.0716 2.0728 2.4805 2.4811 2.6306 2.6338 2.7969 2.8035 3.1394 3.1472 3.4604 3.4637 4.9974 5.0004 5.1435 5.1467 5.1756 5.1784 5.2121 5.2397 5.3361 5.3565 5.6510 5.6648 6.0039 6.0273 6.1863 6.2027 7.0198 7.0248 k = 0.2507 1.0175-0.0000 ( 2720 PWs) bands (ev): -12.6953 -12.6944 -12.6942 -12.6932 -12.0331 -12.0329 -11.5582 -11.5581 -1.7654 -1.7652 0.1327 0.1349 0.2721 0.2756 0.4442 0.4452 1.0836 1.0844 1.0848 1.0849 2.0756 2.0765 2.4465 2.4473 2.6300 2.6330 2.8005 2.8069 3.1614 3.1687 3.4645 3.4681 4.9893 4.9948 5.1503 5.1522 5.1631 5.1679 5.2248 5.2400 5.3386 5.3488 5.6565 5.6683 5.9927 6.0149 6.1850 6.2022 7.0316 7.0357 k = 0.2555 1.0371-0.0000 ( 2722 PWs) bands (ev): -12.7160 -12.7149 -12.6735 -12.6723 -12.0356 -12.0355 -11.5572 -11.5571 -1.7664 -1.7663 0.1437 0.1458 0.2606 0.2641 0.4601 0.4612 1.0388 1.0396 1.1300 1.1302 2.0781 2.0786 2.4138 2.4148 2.6304 2.6332 2.8008 2.8069 3.1825 3.1892 3.4678 3.4716 4.9813 4.9889 5.1499 5.1554 5.1588 5.1608 5.2395 5.2395 5.3416 5.3442 5.6625 5.6725 5.9809 6.0020 6.1839 6.2018 7.0349 7.0381 k = 0.2604 1.0566-0.0000 ( 2718 PWs) bands (ev): -12.7372 -12.7360 -12.6533 -12.6521 -12.0388 -12.0388 -11.5567 -11.5565 -1.7641 -1.7640 0.1574 0.1595 0.2502 0.2537 0.4767 0.4779 0.9944 0.9953 1.1757 1.1758 2.0786 2.0787 2.3828 2.3837 2.6323 2.6348 2.7979 2.8038 3.2022 3.2082 3.4705 3.4745 4.9736 4.9831 5.1401 5.1489 5.1645 5.1652 5.2384 5.2559 5.3346 5.3527 5.6691 5.6775 5.9686 5.9884 6.1829 6.2016 7.0299 7.0320 k = 0.2652 1.0762-0.0000 ( 2722 PWs) bands (ev): -12.7588 -12.7576 -12.6336 -12.6325 -12.0427 -12.0427 -11.5565 -11.5563 -1.7582 -1.7582 0.1739 0.1759 0.2409 0.2445 0.4938 0.4951 0.9504 0.9514 1.2216 1.2218 2.0760 2.0764 2.3533 2.3543 2.6363 2.6384 2.7922 2.7979 3.2201 3.2254 3.4724 3.4766 4.9663 4.9772 5.1311 5.1419 5.1698 5.1720 5.2369 5.2737 5.3281 5.3638 5.6761 5.6832 5.9555 5.9741 6.1822 6.2016 7.0170 7.0180 k = 0.2652 1.0762-0.0000 ( 2722 PWs) bands (ev): -12.7588 -12.7576 -12.6336 -12.6325 -12.0427 -12.0427 -11.5565 -11.5563 -1.7582 -1.7582 0.1739 0.1759 0.2409 0.2445 0.4938 0.4951 0.9504 0.9514 1.2216 1.2218 2.0760 2.0764 2.3533 2.3543 2.6363 2.6384 2.7922 2.7979 3.2201 3.2254 3.4724 3.4766 4.9663 4.9772 5.1311 5.1419 5.1698 5.1720 5.2369 5.2737 5.3281 5.3638 5.6761 5.6832 5.9555 5.9741 6.1822 6.2016 7.0170 7.0180 k = 0.2448 1.0762-0.0000 ( 2723 PWs) bands (ev): -12.7535 -12.7524 -12.6383 -12.6372 -12.0417 -12.0416 -11.5565 -11.5564 -1.7599 -1.7599 0.1693 0.1713 0.2435 0.2470 0.4893 0.4905 0.9610 0.9619 1.2105 1.2107 2.0768 2.0771 2.3609 2.3619 2.6353 2.6375 2.7939 2.7996 3.2155 3.2209 3.4719 3.4761 4.9681 4.9787 5.1332 5.1436 5.1684 5.1702 5.2372 5.2692 5.3297 5.3609 5.6744 5.6817 5.9589 5.9776 6.1824 6.2016 7.0205 7.0219 k = 0.2244 1.0762-0.0000 ( 2723 PWs) bands (ev): -12.7484 -12.7472 -12.6430 -12.6419 -12.0406 -12.0406 -11.5566 -11.5565 -1.7612 -1.7612 0.1644 0.1663 0.2469 0.2503 0.4841 0.4853 0.9715 0.9724 1.1995 1.1997 2.0771 2.0774 2.3697 2.3706 2.6347 2.6369 2.7954 2.8011 3.2099 3.2155 3.4714 3.4754 4.9702 4.9804 5.1355 5.1456 5.1669 5.1684 5.2376 5.2647 5.3313 5.3582 5.6729 5.6803 5.9623 5.9810 6.1829 6.2016 7.0232 7.0248 k = 0.2040 1.0762-0.0000 ( 2716 PWs) bands (ev): -12.7433 -12.7421 -12.6477 -12.6466 -12.0395 -12.0395 -11.5568 -11.5566 -1.7623 -1.7623 0.1595 0.1612 0.2509 0.2540 0.4785 0.4797 0.9819 0.9828 1.1886 1.1889 2.0771 2.0773 2.3794 2.3802 2.6345 2.6368 2.7967 2.8024 3.2036 3.2092 3.4707 3.4746 4.9725 4.9821 5.1380 5.1478 5.1653 5.1666 5.2378 5.2603 5.3329 5.3558 5.6717 5.6790 5.9658 5.9842 6.1836 6.2017 7.0252 7.0271 k = 0.1836 1.0762-0.0000 ( 2718 PWs) bands (ev): -12.7382 -12.7371 -12.6524 -12.6513 -12.0384 -12.0384 -11.5570 -11.5568 -1.7631 -1.7631 0.1545 0.1561 0.2552 0.2581 0.4725 0.4736 0.9923 0.9932 1.1778 1.1781 2.0768 2.0770 2.3896 2.3902 2.6346 2.6371 2.7979 2.8034 3.1969 3.2025 3.4700 3.4736 4.9748 4.9839 5.1404 5.1499 5.1637 5.1648 5.2378 5.2560 5.3345 5.3536 5.6706 5.6777 5.9691 5.9869 6.1844 6.2017 7.0267 7.0287 k = 0.1632 1.0762-0.0000 ( 2722 PWs) bands (ev): -12.7333 -12.7322 -12.6571 -12.6560 -12.0374 -12.0373 -11.5572 -11.5570 -1.7637 -1.7637 0.1499 0.1512 0.2597 0.2624 0.4663 0.4674 1.0026 1.0035 1.1671 1.1675 2.0762 2.0765 2.3999 2.4004 2.6352 2.6377 2.7988 2.8042 3.1900 3.1954 3.4692 3.4725 4.9772 4.9856 5.1429 5.1519 5.1621 5.1632 5.2375 5.2519 5.3361 5.3517 5.6698 5.6765 5.9724 5.9893 6.1854 6.2017 7.0276 7.0296 k = 0.1428 1.0762-0.0000 ( 2715 PWs) bands (ev): -12.7284 -12.7272 -12.6619 -12.6607 -12.0364 -12.0363 -11.5574 -11.5573 -1.7641 -1.7641 0.1455 0.1467 0.2643 0.2668 0.4601 0.4612 1.0129 1.0137 1.1566 1.1569 2.0756 2.0759 2.4101 2.4104 2.6362 2.6386 2.7995 2.8046 3.1831 3.1883 3.4685 3.4714 4.9797 4.9873 5.1452 5.1534 5.1606 5.1625 5.2372 5.2480 5.3376 5.3501 5.6692 5.6754 5.9756 5.9912 6.1867 6.2017 7.0282 7.0302 k = 0.1224 1.0762-0.0000 ( 2715 PWs) bands (ev): -12.7235 -12.7224 -12.6666 -12.6654 -12.0355 -12.0354 -11.5576 -11.5575 -1.7644 -1.7644 0.1416 0.1426 0.2688 0.2710 0.4541 0.4551 1.0231 1.0239 1.1461 1.1465 2.0749 2.0752 2.4197 2.4199 2.6374 2.6397 2.8000 2.8047 3.1766 3.1814 3.4677 3.4703 4.9820 4.9888 5.1471 5.1540 5.1594 5.1626 5.2365 5.2445 5.3389 5.3488 5.6688 5.6743 5.9785 5.9926 6.1881 6.2015 7.0286 7.0304 k = 0.1020 1.0762-0.0000 ( 2715 PWs) bands (ev): -12.7187 -12.7176 -12.6713 -12.6701 -12.0346 -12.0346 -11.5578 -11.5577 -1.7646 -1.7646 0.1382 0.1391 0.2730 0.2750 0.4485 0.4494 1.0332 1.0340 1.1358 1.1362 2.0743 2.0745 2.4283 2.4285 2.6389 2.6410 2.8004 2.8046 3.1707 3.1749 3.4670 3.4692 4.9843 4.9901 5.1483 5.1537 5.1591 5.1635 5.2357 5.2413 5.3401 5.3477 5.6686 5.6734 5.9813 5.9935 6.1896 6.2012 7.0288 7.0304 k = 0.0816 1.0762-0.0000 ( 2717 PWs) bands (ev): -12.7139 -12.7128 -12.6760 -12.6748 -12.0339 -12.0339 -11.5580 -11.5580 -1.7647 -1.7647 0.1354 0.1360 0.2769 0.2785 0.4435 0.4443 1.0433 1.0440 1.1255 1.1260 2.0737 2.0738 2.4358 2.4360 2.6404 2.6423 2.8005 2.8041 3.1656 3.1692 3.4665 3.4682 4.9864 4.9912 5.1488 5.1527 5.1598 5.1645 5.2347 5.2386 5.3412 5.3468 5.6686 5.6726 5.9838 5.9940 6.1912 6.2007 7.0289 7.0302 k = 0.0612 1.0762-0.0000 ( 2715 PWs) bands (ev): -12.7091 -12.7080 -12.6807 -12.6796 -12.0334 -12.0334 -11.5582 -11.5581 -1.7648 -1.7648 0.1331 0.1336 0.2803 0.2815 0.4393 0.4399 1.0533 1.0540 1.1154 1.1159 2.0732 2.0733 2.4419 2.4421 2.6419 2.6434 2.8007 2.8035 3.1615 3.1643 3.4660 3.4674 4.9882 4.9919 5.1489 5.1516 5.1612 5.1654 5.2339 5.2365 5.3422 5.3461 5.6688 5.6718 5.9861 5.9940 6.1928 6.2001 7.0290 7.0300 k = 0.0408 1.0762-0.0000 ( 2715 PWs) bands (ev): -12.7044 -12.7032 -12.6854 -12.6843 -12.0330 -12.0330 -11.5583 -11.5583 -1.7648 -1.7648 0.1315 0.1318 0.2829 0.2837 0.4362 0.4366 1.0631 1.0638 1.1055 1.1060 2.0728 2.0729 2.4464 2.4466 2.6433 2.6443 2.8009 2.8028 3.1586 3.1606 3.4658 3.4667 4.9897 4.9922 5.1489 5.1506 5.1627 5.1659 5.2332 5.2348 5.3430 5.3455 5.6691 5.6711 5.9882 5.9935 6.1943 6.1993 7.0290 7.0297 k = 0.0204 1.0762-0.0000 ( 2713 PWs) bands (ev): -12.6997 -12.6985 -12.6901 -12.6890 -12.0327 -12.0327 -11.5584 -11.5583 -1.7648 -1.7648 0.1306 0.1307 0.2846 0.2850 0.4343 0.4345 1.0725 1.0730 1.0961 1.0966 2.0726 2.0726 2.4492 2.4493 2.6443 2.6448 2.8012 2.8022 3.1570 3.1580 3.4657 3.4662 4.9909 4.9922 5.1490 5.1498 5.1642 5.1658 5.2329 5.2337 5.3437 5.3449 5.6694 5.6705 5.9900 5.9927 6.1958 6.1983 7.0292 7.0295 k = 0.0000 1.0762-0.0000 ( 2708 PWs) bands (ev): -12.6953 -12.6953 -12.6933 -12.6933 -12.0326 -12.0326 -11.5584 -11.5584 -1.7648 -1.7648 0.1303 0.1303 0.2854 0.2854 0.4337 0.4337 1.0784 1.0784 1.0907 1.0907 2.0725 2.0725 2.4502 2.4502 2.6448 2.6448 2.8016 2.8016 3.1569 3.1569 3.4658 3.4658 4.9917 4.9917 5.1493 5.1493 5.1652 5.1652 5.2331 5.2331 5.3444 5.3444 5.6699 5.6699 5.9915 5.9915 6.1972 6.1972 7.0293 7.0293 k = 0.0000 1.0762-0.0000 ( 2708 PWs) bands (ev): -12.6953 -12.6953 -12.6933 -12.6933 -12.0326 -12.0326 -11.5584 -11.5584 -1.7648 -1.7648 0.1303 0.1303 0.2854 0.2854 0.4337 0.4337 1.0784 1.0784 1.0907 1.0907 2.0725 2.0725 2.4502 2.4502 2.6448 2.6448 2.8016 2.8016 3.1569 3.1569 3.4658 3.4658 4.9917 4.9917 5.1493 5.1493 5.1652 5.1652 5.2331 5.2331 5.3444 5.3444 5.6699 5.6699 5.9915 5.9915 6.1972 6.1972 7.0293 7.0293 k = 0.0000 1.0762 0.0203 ( 2710 PWs) bands (ev): -12.6950 -12.6950 -12.6930 -12.6930 -12.0324 -12.0324 -11.5585 -11.5585 -1.7642 -1.7642 0.1288 0.1291 0.2848 0.2848 0.4338 0.4340 1.0750 1.0750 1.0875 1.0875 2.0725 2.0725 2.4511 2.4513 2.6455 2.6456 2.8024 2.8026 3.1566 3.1567 3.4667 3.4668 4.9877 4.9890 5.1321 5.1441 5.1679 5.1802 5.2343 5.2344 5.3447 5.3455 5.6690 5.6707 5.9937 5.9947 6.2003 6.2009 7.0301 7.0302 k = 0.0000 1.0762 0.0406 ( 2714 PWs) bands (ev): -12.6941 -12.6940 -12.6921 -12.6920 -12.0318 -12.0318 -11.5589 -11.5589 -1.7622 -1.7622 0.1246 0.1252 0.2831 0.2831 0.4342 0.4346 1.0647 1.0648 1.0782 1.0782 2.0723 2.0724 2.4537 2.4541 2.6475 2.6477 2.8052 2.8055 3.1558 3.1560 3.4694 3.4697 4.9774 4.9799 5.1121 5.1240 5.1810 5.1933 5.2377 5.2380 5.3465 5.3480 5.6679 5.6711 6.0013 6.0030 6.2101 6.2112 7.0327 7.0328 k = 0.0000 1.0762 0.0609 ( 2718 PWs) bands (ev): -12.6925 -12.6924 -12.6906 -12.6904 -12.0308 -12.0308 -11.5596 -11.5596 -1.7590 -1.7589 0.1177 0.1185 0.2802 0.2802 0.4349 0.4356 1.0482 1.0484 1.0631 1.0631 2.0721 2.0722 2.4574 2.4580 2.6504 2.6507 2.8101 2.8106 3.1544 3.1548 3.4740 3.4745 4.9619 4.9655 5.0905 5.1017 5.1923 5.2041 5.2430 5.2432 5.3497 5.3520 5.6668 5.6714 6.0138 6.0162 6.2260 6.2276 7.0371 7.0372 k = 0.0000 1.0762 0.0811 ( 2722 PWs) bands (ev): -12.6903 -12.6901 -12.6884 -12.6881 -12.0293 -12.0293 -11.5605 -11.5605 -1.7545 -1.7544 0.1080 0.1089 0.2760 0.2760 0.4360 0.4368 1.0262 1.0264 1.0428 1.0428 2.0717 2.0719 2.4614 2.4622 2.6536 2.6540 2.8175 2.8182 3.1525 3.1530 3.4807 3.4813 4.9426 4.9470 5.0679 5.0784 5.2016 5.2126 5.2492 5.2494 5.3540 5.3571 5.6657 5.6715 6.0307 6.0336 6.2475 6.2496 7.0432 7.0434 k = 0.0000 1.0762 0.1014 ( 2728 PWs) bands (ev): -12.6875 -12.6873 -12.6856 -12.6852 -12.0275 -12.0275 -11.5618 -11.5618 -1.7487 -1.7486 0.0953 0.0965 0.2703 0.2704 0.4375 0.4384 0.9995 0.9998 1.0181 1.0181 2.0711 2.0713 2.4645 2.4654 2.6561 2.6567 2.8276 2.8286 3.1498 3.1504 3.4896 3.4904 4.9209 4.9260 5.0449 5.0547 5.2092 5.2194 5.2558 5.2560 5.3594 5.3632 5.6649 5.6715 6.0513 6.0545 6.2737 6.2761 7.0511 7.0513 k = 0.0000 1.0762 0.1217 ( 2730 PWs) bands (ev): -12.6841 -12.6839 -12.6821 -12.6818 -12.0252 -12.0252 -11.5633 -11.5633 -1.7416 -1.7415 0.0798 0.0811 0.2629 0.2630 0.4392 0.4402 0.9693 0.9696 0.9897 0.9898 2.0703 2.0705 2.4659 2.4669 2.6572 2.6579 2.8407 2.8418 3.1464 3.1471 3.5008 3.5017 4.8983 4.9038 5.0221 5.0312 5.2154 5.2249 5.2620 5.2627 5.3658 5.3702 5.6642 5.6716 6.0750 6.0782 6.3037 6.3063 7.0609 7.0611 k = 0.0000 1.0762 0.1420 ( 2732 PWs) bands (ev): -12.6801 -12.6798 -12.6782 -12.6777 -12.0226 -12.0226 -11.5650 -11.5650 -1.7333 -1.7331 0.0611 0.0626 0.2536 0.2537 0.4411 0.4422 0.9366 0.9369 0.9587 0.9588 2.0691 2.0693 2.4647 2.4657 2.6560 2.6569 2.8564 2.8576 3.1423 3.1430 3.5143 3.5154 4.8758 4.8815 5.0002 5.0088 5.2205 5.2292 5.2679 5.2689 5.3731 5.3779 5.6639 5.6717 6.1009 6.1041 6.3365 6.3394 7.0725 7.0728 k = 0.0000 1.0762 0.1623 ( 2730 PWs) bands (ev): -12.6756 -12.6753 -12.6736 -12.6731 -12.0195 -12.0195 -11.5671 -11.5671 -1.7237 -1.7236 0.0394 0.0410 0.2420 0.2422 0.4431 0.4442 0.9026 0.9030 0.9260 0.9262 2.0677 2.0679 2.4605 2.4616 2.6516 2.6527 2.8741 2.8754 3.1378 3.1385 3.5300 3.5313 4.8543 4.8602 4.9800 4.9881 5.2248 5.2329 5.2733 5.2746 5.3813 5.3865 5.6640 5.6721 6.1285 6.1314 6.3712 6.3743 7.0860 7.0863 k = 0.0000 1.0762 0.1826 ( 2728 PWs) bands (ev): -12.6705 -12.6702 -12.6685 -12.6680 -12.0161 -12.0161 -11.5694 -11.5694 -1.7130 -1.7128 0.0145 0.0161 0.2278 0.2281 0.4450 0.4462 0.8683 0.8688 0.8924 0.8928 2.0658 2.0660 2.4533 2.4543 2.6435 2.6448 2.8924 2.8937 3.1335 3.1342 3.5479 3.5493 4.8347 4.8408 4.9617 4.9694 5.2285 5.2359 5.2781 5.2797 5.3904 5.3958 5.6644 5.6727 6.1571 6.1597 6.4072 6.4104 7.1013 7.1016 k = 0.0000 1.0762 0.2028 ( 2728 PWs) bands (ev): -12.6649 -12.6645 -12.6629 -12.6623 -12.0122 -12.0122 -11.5719 -11.5719 -1.7011 -1.7009 -0.0136 -0.0119 0.2106 0.2110 0.4466 0.4477 0.8350 0.8355 0.8590 0.8595 2.0636 2.0638 2.4429 2.4439 2.6313 2.6328 2.9096 2.9109 3.1304 3.1310 3.5676 3.5692 4.8177 4.8237 4.9461 4.9534 5.2318 5.2386 5.2824 5.2842 5.4004 5.4059 5.6653 5.6736 6.1863 6.1885 6.4436 6.4469 7.1184 7.1186 k = 0.0000 1.0762 0.2231 ( 2728 PWs) bands (ev): -12.6588 -12.6584 -12.6568 -12.6562 -12.0080 -12.0080 -11.5748 -11.5748 -1.6881 -1.6879 -0.0448 -0.0431 0.1902 0.1906 0.4475 0.4485 0.8035 0.8041 0.8267 0.8274 2.0610 2.0612 2.4297 2.4307 2.6149 2.6164 2.9231 2.9243 3.1303 3.1308 3.5887 3.5904 4.8037 4.8097 4.9334 4.9404 5.2348 5.2410 5.2861 5.2880 5.4113 5.4168 5.6667 5.6749 6.2156 6.2175 6.4798 6.4832 7.1372 7.1372 k = 0.0000 1.0762 0.2434 ( 2728 PWs) bands (ev): -12.6523 -12.6519 -12.6503 -12.6496 -12.0035 -12.0035 -11.5779 -11.5779 -1.6740 -1.6738 -0.0790 -0.0773 0.1663 0.1668 0.4473 0.4481 0.7747 0.7753 0.7963 0.7973 2.0580 2.0582 2.4139 2.4149 2.5941 2.5957 2.9303 2.9313 3.1353 3.1355 3.6108 3.6126 4.7931 4.7990 4.9238 4.9306 5.2375 5.2431 5.2893 5.2913 5.4232 5.4286 5.6685 5.6766 6.2448 6.2463 6.5156 6.5190 7.1573 7.1574 k = 0.0000 1.0762 0.2637 ( 2730 PWs) bands (ev): -12.6453 -12.6450 -12.6433 -12.6427 -11.9986 -11.9986 -11.5813 -11.5813 -1.6589 -1.6587 -0.1161 -0.1145 0.1389 0.1395 0.4453 0.4459 0.7491 0.7499 0.7689 0.7703 2.0546 2.0547 2.3957 2.3967 2.5692 2.5709 2.9293 2.9300 3.1465 3.1465 3.6332 3.6352 4.7861 4.7920 4.9176 4.9241 5.2399 5.2451 5.2921 5.2941 5.4360 5.4413 5.6709 5.6788 6.2737 6.2748 6.5503 6.5538 7.1783 7.1789 k = 0.0000 1.0762 0.2840 ( 2734 PWs) bands (ev): -12.6380 -12.6376 -12.6360 -12.6353 -11.9933 -11.9933 -11.5849 -11.5849 -1.6429 -1.6426 -0.1559 -0.1543 0.1080 0.1087 0.4409 0.4412 0.7273 0.7282 0.7454 0.7471 2.0506 2.0508 2.3754 2.3764 2.5406 2.5423 2.9199 2.9204 3.1636 3.1639 3.6556 3.6577 4.7829 4.7886 4.9146 4.9209 5.2423 5.2470 5.2944 5.2964 5.4497 5.4549 5.6738 5.6815 6.3021 6.3029 6.5838 6.5873 7.1996 7.2009 k = 0.0000 1.0762 0.3043 ( 2732 PWs) bands (ev): -12.6303 -12.6300 -12.6283 -12.6276 -11.9877 -11.9877 -11.5888 -11.5888 -1.6259 -1.6256 -0.1981 -0.1965 0.0741 0.0748 0.4334 0.4334 0.7094 0.7104 0.7266 0.7287 2.0460 2.0462 2.3531 2.3541 2.5086 2.5104 2.9033 2.9036 3.1855 3.1860 3.6775 3.6796 4.7835 4.7890 4.9148 4.9209 5.2445 5.2488 5.2964 5.2984 5.4644 5.4693 5.6773 5.6848 6.3301 6.3306 6.6160 6.6196 7.2188 7.2215 k = 0.0000 1.0762 0.3245 ( 2734 PWs) bands (ev): -12.6224 -12.6221 -12.6204 -12.6197 -11.9818 -11.9818 -11.5930 -11.5930 -1.6081 -1.6078 -0.2424 -0.2408 0.0376 0.0383 0.4219 0.4221 0.6955 0.6965 0.7130 0.7153 2.0407 2.0409 2.3290 2.3300 2.4738 2.4756 2.8811 2.8813 3.2105 3.2111 3.6984 3.7006 4.7877 4.7930 4.9180 4.9238 5.2467 5.2505 5.2981 5.3000 5.4798 5.4845 5.6814 5.6886 6.3576 6.3578 6.6468 6.6505 7.2322 7.2340 k = 0.0000 1.0762 0.3448 ( 2740 PWs) bands (ev): -12.6142 -12.6139 -12.6122 -12.6115 -11.9756 -11.9756 -11.5975 -11.5975 -1.5896 -1.5892 -0.2885 -0.2869 -0.0010 -0.0002 0.4065 0.4070 0.6854 0.6862 0.7050 0.7073 2.0345 2.0346 2.3032 2.3042 2.4370 2.4388 2.8547 2.8548 3.2374 3.2380 3.7179 3.7201 4.7951 4.8002 4.9238 4.9293 5.2488 5.2522 5.2995 5.3014 5.4961 5.5005 5.6861 5.6929 6.3845 6.3846 6.6763 6.6800 7.2401 7.2404 k = 0.0000 1.0762 0.3651 ( 2738 PWs) bands (ev): -12.6058 -12.6055 -12.6038 -12.6031 -11.9690 -11.9690 -11.6022 -11.6022 -1.5704 -1.5700 -0.3359 -0.3344 -0.0409 -0.0401 0.3876 0.3883 0.6787 0.6793 0.7022 0.7045 2.0269 2.0271 2.2758 2.2768 2.3988 2.4006 2.8252 2.8253 3.2651 3.2658 3.7360 3.7382 4.8058 4.8106 4.9319 4.9372 5.2510 5.2540 5.3008 5.3025 5.5131 5.5172 5.6914 5.6979 6.4109 6.4112 6.7044 6.7082 7.2455 7.2458 k = 0.0000 1.0762 0.3854 ( 2738 PWs) bands (ev): -12.5972 -12.5969 -12.5952 -12.5945 -11.9622 -11.9622 -11.6071 -11.6071 -1.5506 -1.5502 -0.3843 -0.3828 -0.0816 -0.0807 0.3656 0.3665 0.6752 0.6755 0.7040 0.7062 2.0177 2.0178 2.2468 2.2479 2.3602 2.3619 2.7935 2.7936 3.2931 3.2938 3.7523 3.7545 4.8190 4.8236 4.9420 4.9469 5.2531 5.2558 5.3018 5.3035 5.5307 5.5344 5.6973 5.7034 6.4370 6.4375 6.7314 6.7353 7.2498 7.2504 k = 0.0000 1.0762 0.4057 ( 2738 PWs) bands (ev): -12.5886 -12.5883 -12.5866 -12.5859 -11.9551 -11.9551 -11.6123 -11.6123 -1.5304 -1.5300 -0.4334 -0.4319 -0.1223 -0.1213 0.3411 0.3421 0.6744 0.6746 0.7098 0.7118 2.0062 2.0062 2.2164 2.2175 2.3222 2.3239 2.7603 2.7604 3.3211 3.3217 3.7668 3.7690 4.8345 4.8387 4.9536 4.9581 5.2552 5.2576 5.3026 5.3042 5.5489 5.5522 5.7038 5.7095 6.4629 6.4636 6.7572 6.7612 7.2535 7.2543 k = 0.0000 1.0762 0.4260 ( 2736 PWs) bands (ev): -12.5798 -12.5796 -12.5779 -12.5772 -11.9478 -11.9478 -11.6178 -11.6178 -1.5099 -1.5094 -0.4827 -0.4812 -0.1624 -0.1614 0.3147 0.3157 0.6760 0.6761 0.7188 0.7208 1.9915 1.9915 2.1845 2.1857 2.2862 2.2878 2.7262 2.7262 3.3487 3.3493 3.7796 3.7817 4.8517 4.8556 4.9663 4.9705 5.2574 5.2595 5.3033 5.3049 5.5675 5.5704 5.7108 5.7162 6.4887 6.4896 6.7821 6.7862 7.2568 7.2576 k = 0.0000 1.0762 0.4462 ( 2734 PWs) bands (ev): -12.5711 -12.5708 -12.5692 -12.5685 -11.9402 -11.9402 -11.6235 -11.6235 -1.4891 -1.4886 -0.5319 -0.5305 -0.2014 -0.2004 0.2867 0.2878 0.6800 0.6800 0.7306 0.7325 1.9728 1.9729 2.1512 2.1525 2.2534 2.2548 2.6916 2.6917 3.3758 3.3763 3.7905 3.7925 4.8703 4.8737 4.9798 4.9837 5.2596 5.2614 5.3039 5.3053 5.5863 5.5888 5.7183 5.7233 6.5146 6.5155 6.8060 6.8104 7.2595 7.2604 k = 0.0000 1.0762 0.4665 ( 2734 PWs) bands (ev): -12.5624 -12.5622 -12.5605 -12.5598 -11.9324 -11.9324 -11.6295 -11.6295 -1.4683 -1.4678 -0.5808 -0.5794 -0.2387 -0.2377 0.2575 0.2586 0.6859 0.6860 0.7447 0.7464 1.9493 1.9495 2.1165 2.1179 2.2250 2.2263 2.6571 2.6573 3.4022 3.4028 3.7997 3.8016 4.8897 4.8927 4.9937 4.9971 5.2619 5.2634 5.3044 5.3058 5.6052 5.6074 5.7263 5.7308 6.5405 6.5415 6.8292 6.8337 7.2618 7.2626 k = 0.0000 1.0762 0.4868 ( 2738 PWs) bands (ev): -12.5538 -12.5536 -12.5520 -12.5513 -11.9243 -11.9243 -11.6357 -11.6357 -1.4477 -1.4471 -0.6290 -0.6276 -0.2739 -0.2729 0.2274 0.2284 0.6938 0.6939 0.7607 0.7623 1.9207 1.9210 2.0804 2.0820 2.2018 2.2029 2.6230 2.6232 3.4279 3.4284 3.8072 3.8090 4.9095 4.9122 5.0077 5.0107 5.2641 5.2654 5.3048 5.3061 5.6242 5.6259 5.7345 5.7386 6.5666 6.5677 6.8517 6.8564 7.2635 7.2642 k = 0.0000 1.0762 0.5071 ( 2736 PWs) bands (ev): -12.5454 -12.5452 -12.5436 -12.5429 -11.9161 -11.9161 -11.6421 -11.6421 -1.4273 -1.4267 -0.6762 -0.6749 -0.3065 -0.3055 0.1965 0.1975 0.7035 0.7036 0.7783 0.7798 1.8872 1.8877 2.0432 2.0448 2.1838 2.1847 2.5896 2.5897 3.4529 3.4534 3.8131 3.8148 4.9294 4.9317 5.0216 5.0242 5.2665 5.2675 5.3051 5.3063 5.6430 5.6443 5.7431 5.7467 6.5931 6.5941 6.8735 6.8785 7.2648 7.2653 k = 0.0000 1.0762 0.5274 ( 2734 PWs) bands (ev): -12.5371 -12.5369 -12.5354 -12.5348 -11.9077 -11.9077 -11.6488 -11.6488 -1.4073 -1.4067 -0.7223 -0.7210 -0.3361 -0.3352 0.1649 0.1659 0.7148 0.7150 0.7973 0.7988 1.8498 1.8504 2.0048 2.0065 2.1706 2.1713 2.5571 2.5573 3.4772 3.4776 3.8175 3.8191 4.9492 4.9510 5.0351 5.0372 5.2688 5.2696 5.3054 5.3065 5.6614 5.6623 5.7518 5.7550 6.6198 6.6209 6.8947 6.9000 7.2655 7.2658 k = 0.0000 1.0762 0.5477 ( 2736 PWs) bands (ev): -12.5291 -12.5290 -12.5275 -12.5268 -11.8991 -11.8991 -11.6557 -11.6556 -1.3880 -1.3873 -0.7670 -0.7657 -0.3624 -0.3614 0.1328 0.1338 0.7278 0.7279 0.8175 0.8189 1.8095 1.8103 1.9655 1.9673 2.1614 2.1619 2.5257 2.5259 3.5006 3.5010 3.8204 3.8219 4.9684 4.9698 5.0479 5.0497 5.2712 5.2718 5.3056 5.3066 5.6793 5.6798 5.7605 5.7633 6.6469 6.6479 6.9152 6.9208 7.2656 7.2658 k = 0.0000 1.0762 0.5680 ( 2734 PWs) bands (ev): -12.5214 -12.5213 -12.5199 -12.5192 -11.8904 -11.8904 -11.6628 -11.6628 -1.3694 -1.3687 -0.8101 -0.8088 -0.3849 -0.3839 0.1003 0.1013 0.7422 0.7424 0.8388 0.8400 1.7674 1.7683 1.9254 1.9272 2.1553 2.1558 2.4955 2.4957 3.5232 3.5236 3.8221 3.8234 4.9869 4.9880 5.0600 5.0614 5.2736 5.2741 5.3057 5.3067 5.6966 5.6967 5.7692 5.7715 6.6744 6.6753 6.9350 6.9410 7.2652 7.2653 k = 0.0000 1.0762 0.5882 ( 2732 PWs) bands (ev): -12.5140 -12.5139 -12.5126 -12.5120 -11.8816 -11.8816 -11.6701 -11.6701 -1.3516 -1.3509 -0.8514 -0.8501 -0.4035 -0.4025 0.0674 0.0683 0.7581 0.7583 0.8607 0.8619 1.7246 1.7256 1.8847 1.8865 2.1519 2.1523 2.4667 2.4669 3.5451 3.5454 3.8224 3.8237 5.0045 5.0052 5.0714 5.0724 5.2761 5.2764 5.3058 5.3067 5.7129 5.7132 5.7777 5.7796 6.7023 6.7030 6.9541 6.9606 7.2640 7.2644 k = 0.0000 1.0762 0.6085 ( 2730 PWs) bands (ev): -12.5071 -12.5070 -12.5057 -12.5051 -11.8726 -11.8726 -11.6776 -11.6776 -1.3349 -1.3341 -0.8908 -0.8896 -0.4179 -0.4169 0.0342 0.0351 0.7753 0.7755 0.8833 0.8843 1.6818 1.6829 1.8436 1.8455 2.1506 2.1509 2.4393 2.4395 3.5662 3.5665 3.8215 3.8227 5.0211 5.0215 5.0817 5.0824 5.2786 5.2788 5.3059 5.3067 5.7282 5.7288 5.7858 5.7873 6.7305 6.7310 6.9724 6.9793 7.2622 7.2630 k = 0.0000 1.0762 0.6288 ( 2732 PWs) bands (ev): -12.5005 -12.5005 -12.4993 -12.4987 -11.8635 -11.8635 -11.6853 -11.6853 -1.3191 -1.3183 -0.9283 -0.9270 -0.4280 -0.4270 0.0008 0.0018 0.7938 0.7939 0.9061 0.9070 1.6398 1.6410 1.8024 1.8043 2.1511 2.1513 2.4132 2.4134 3.5864 3.5867 3.8195 3.8206 5.0366 5.0366 5.0910 5.0913 5.2810 5.2811 5.3059 5.3066 5.7426 5.7435 5.7935 5.7945 6.7590 6.7593 6.9897 6.9972 7.2598 7.2610 k = 0.0000 1.0762 0.6491 ( 2738 PWs) bands (ev): -12.4945 -12.4944 -12.4934 -12.4928 -11.8544 -11.8544 -11.6932 -11.6932 -1.3044 -1.3036 -0.9636 -0.9624 -0.4336 -0.4327 -0.0326 -0.0317 0.8135 0.8135 0.9288 0.9295 1.5993 1.6006 1.7612 1.7632 2.1531 2.1533 2.3886 2.3888 3.6059 3.6061 3.8164 3.8174 5.0505 5.0508 5.0992 5.0993 5.2834 5.2835 5.3058 5.3064 5.7559 5.7571 5.8006 5.8013 6.7877 6.7878 7.0059 7.0139 7.2568 7.2584 k = 0.0000 1.0762 0.6694 ( 2734 PWs) bands (ev): -12.4890 -12.4889 -12.4880 -12.4874 -11.8452 -11.8452 -11.7013 -11.7013 -1.2905 -1.2897 -0.9968 -0.9956 -0.4349 -0.4340 -0.0661 -0.0652 0.8342 0.8342 0.9509 0.9515 1.5611 1.5626 1.7205 1.7225 2.1564 2.1566 2.3653 2.3655 3.6245 3.6248 3.8122 3.8131 5.0633 5.0639 5.1061 5.1064 5.2857 5.2858 5.3056 5.3062 5.7682 5.7696 5.8071 5.8074 6.8163 6.8167 7.0207 7.0294 7.2532 7.2554 k = 0.0000 1.0762 0.6897 ( 2732 PWs) bands (ev): -12.4840 -12.4839 -12.4831 -12.4826 -11.8359 -11.8359 -11.7095 -11.7095 -1.2774 -1.2765 -1.0278 -1.0265 -0.4320 -0.4311 -0.0993 -0.0984 0.8558 0.8558 0.9718 0.9722 1.5260 1.5277 1.6804 1.6825 2.1611 2.1612 2.3433 2.3435 3.6424 3.6427 3.8071 3.8079 5.0749 5.0757 5.1119 5.1124 5.2880 5.2881 5.3054 5.3059 5.7793 5.7809 5.8128 5.8129 6.8448 6.8457 7.0337 7.0432 7.2489 7.2519 k = 0.0000 1.0762 0.7099 ( 2736 PWs) bands (ev): -12.4796 -12.4795 -12.4789 -12.4784 -11.8266 -11.8266 -11.7179 -11.7179 -1.2649 -1.2640 -1.0565 -1.0553 -0.4249 -0.4240 -0.1323 -0.1314 0.8781 0.8781 0.9906 0.9909 1.4951 1.4970 1.6413 1.6434 2.1669 2.1670 2.3227 2.3229 3.6595 3.6597 3.8009 3.8016 5.0852 5.0862 5.1166 5.1173 5.2901 5.2903 5.3051 5.3055 5.7893 5.7910 5.8173 5.8178 6.8731 6.8745 7.0445 7.0547 7.2438 7.2479 k = 0.0000 1.0762 0.7302 ( 2740 PWs) bands (ev): -12.4759 -12.4757 -12.4752 -12.4747 -11.8173 -11.8173 -11.7265 -11.7265 -1.2527 -1.2517 -1.0830 -1.0818 -0.4140 -0.4132 -0.1648 -0.1639 0.9008 0.9009 1.0063 1.0064 1.4695 1.4715 1.6036 1.6058 2.1738 2.1739 2.3034 2.3035 3.6758 3.6760 3.7939 3.7945 5.0942 5.0953 5.1202 5.1211 5.2922 5.2924 5.3047 5.3050 5.7980 5.7999 5.8210 5.8217 6.9010 6.9031 7.0524 7.0634 7.2381 7.2435 k = 0.0000 1.0762 0.7505 ( 2738 PWs) bands (ev): -12.4727 -12.4725 -12.4722 -12.4718 -11.8080 -11.8080 -11.7351 -11.7351 -1.2404 -1.2394 -1.1074 -1.1062 -0.3996 -0.3988 -0.1966 -0.1957 0.9236 0.9237 1.0175 1.0177 1.4506 1.4527 1.5678 1.5700 2.1818 2.1819 2.2853 2.2854 3.6913 3.6915 3.7859 3.7864 5.1021 5.1033 5.1227 5.1237 5.2942 5.2944 5.3041 5.3044 5.8056 5.8076 5.8237 5.8248 6.9284 6.9312 7.0566 7.0681 7.2319 7.2389 k = 0.0000 1.0762 0.7708 ( 2738 PWs) bands (ev): -12.4703 -12.4700 -12.4698 -12.4694 -11.7987 -11.7987 -11.7440 -11.7439 -1.2278 -1.2268 -1.1297 -1.1285 -0.3820 -0.3811 -0.2276 -0.2268 0.9461 0.9463 1.0232 1.0235 1.4395 1.4418 1.5344 1.5367 2.1909 2.1910 2.2684 2.2685 3.7060 3.7062 3.7770 3.7775 5.1086 5.1100 5.1240 5.1251 5.2960 5.2962 5.3035 5.3037 5.8120 5.8140 5.8255 5.8267 6.9547 6.9585 7.0561 7.0676 7.2259 7.2345 k = 0.0000 1.0762 0.7911 ( 2744 PWs) bands (ev): -12.4685 -12.4682 -12.4681 -12.4678 -11.7894 -11.7894 -11.7529 -11.7529 -1.2147 -1.2136 -1.1500 -1.1488 -0.3615 -0.3607 -0.2576 -0.2567 0.9675 0.9678 1.0226 1.0230 1.4370 1.4394 1.5042 1.5065 2.2011 2.2011 2.2527 2.2528 3.7198 3.7201 3.7673 3.7677 5.1140 5.1154 5.1242 5.1255 5.2977 5.2978 5.3026 5.3029 5.8171 5.8191 5.8261 5.8275 6.9797 6.9846 7.0502 7.0611 7.2216 7.2308 k = 0.0000 1.0762 0.8114 ( 2746 PWs) bands (ev): -12.4674 -12.4672 -12.4670 -12.4669 -11.7802 -11.7802 -11.7619 -11.7619 -1.2005 -1.1995 -1.1684 -1.1673 -0.3385 -0.3377 -0.2862 -0.2854 0.9870 0.9874 1.0158 1.0162 1.4432 1.4457 1.4781 1.4805 2.2123 2.2124 2.2381 2.2382 3.7329 3.7332 3.7567 3.7570 5.1183 5.1197 5.1233 5.1246 5.2992 5.2993 5.3016 5.3018 5.8211 5.8230 5.8256 5.8272 7.0026 7.0090 7.0389 7.0484 7.2203 7.2266 k = 0.0000 1.0762 0.8316 ( 2748 PWs) bands (ev): -12.4670 -12.4670 -12.4666 -12.4666 -11.7714 -11.7714 -11.7706 -11.7706 -1.1852 -1.1852 -1.1841 -1.1841 -0.3133 -0.3133 -0.3124 -0.3124 1.0035 1.0035 1.0040 1.0040 1.4573 1.4573 1.4598 1.4598 2.2245 2.2245 2.2248 2.2248 3.7451 3.7451 3.7456 3.7456 5.1214 5.1214 5.1227 5.1227 5.3004 5.3004 5.3007 5.3007 5.8239 5.8239 5.8257 5.8257 7.0227 7.0227 7.0306 7.0306 7.2222 7.2222 k = 0.0000 1.0762 0.8316 ( 2748 PWs) bands (ev): -12.4670 -12.4670 -12.4666 -12.4666 -11.7714 -11.7714 -11.7706 -11.7706 -1.1852 -1.1852 -1.1841 -1.1841 -0.3133 -0.3133 -0.3124 -0.3124 1.0035 1.0035 1.0040 1.0040 1.4573 1.4573 1.4598 1.4598 2.2245 2.2245 2.2248 2.2248 3.7451 3.7451 3.7456 3.7456 5.1214 5.1214 5.1227 5.1227 5.3004 5.3004 5.3007 5.3007 5.8239 5.8239 5.8257 5.8257 7.0227 7.0227 7.0306 7.0306 7.2222 7.2222 k = 0.0204 1.0762 0.8316 ( 2746 PWs) bands (ev): -12.4670 -12.4670 -12.4666 -12.4666 -11.7714 -11.7714 -11.7707 -11.7706 -1.1851 -1.1851 -1.1840 -1.1840 -0.3134 -0.3134 -0.3125 -0.3125 1.0034 1.0034 1.0039 1.0039 1.4573 1.4573 1.4598 1.4598 2.2251 2.2252 2.2254 2.2255 3.7448 3.7449 3.7453 3.7454 5.1197 5.1198 5.1233 5.1235 5.2996 5.2999 5.3013 5.3016 5.8235 5.8236 5.8263 5.8264 7.0210 7.0210 7.0296 7.0296 7.2230 7.2230 k = 0.0408 1.0762 0.8316 ( 2742 PWs) bands (ev): -12.4670 -12.4670 -12.4667 -12.4666 -11.7715 -11.7714 -11.7707 -11.7707 -1.1849 -1.1849 -1.1837 -1.1837 -0.3136 -0.3135 -0.3127 -0.3126 1.0030 1.0031 1.0037 1.0038 1.4572 1.4572 1.4597 1.4597 2.2267 2.2269 2.2271 2.2272 3.7440 3.7441 3.7445 3.7446 5.1167 5.1169 5.1236 5.1238 5.2990 5.2993 5.3024 5.3026 5.8231 5.8232 5.8277 5.8279 7.0164 7.0164 7.0265 7.0265 7.2256 7.2257 k = 0.0612 1.0762 0.8316 ( 2744 PWs) bands (ev): -12.4671 -12.4671 -12.4667 -12.4667 -11.7717 -11.7715 -11.7709 -11.7707 -1.1844 -1.1844 -1.1833 -1.1833 -0.3139 -0.3138 -0.3130 -0.3129 1.0025 1.0026 1.0033 1.0034 1.4571 1.4571 1.4596 1.4597 2.2294 2.2296 2.2298 2.2300 3.7426 3.7428 3.7432 3.7433 5.1129 5.1131 5.1230 5.1232 5.2985 5.2988 5.3034 5.3037 5.8229 5.8231 5.8296 5.8297 7.0094 7.0094 7.0212 7.0213 7.2300 7.2301 k = 0.0816 1.0762 0.8316 ( 2742 PWs) bands (ev): -12.4672 -12.4671 -12.4668 -12.4668 -11.7718 -11.7716 -11.7711 -11.7709 -1.1838 -1.1838 -1.1827 -1.1827 -0.3144 -0.3143 -0.3134 -0.3133 1.0018 1.0019 1.0028 1.0029 1.4571 1.4571 1.4596 1.4597 2.2330 2.2333 2.2335 2.2337 3.7408 3.7409 3.7413 3.7415 5.1084 5.1086 5.1216 5.1218 5.2983 5.2985 5.3046 5.3048 5.8231 5.8232 5.8316 5.8318 7.0007 7.0007 7.0141 7.0142 7.2361 7.2362 k = 0.1020 1.0762 0.8316 ( 2740 PWs) bands (ev): -12.4673 -12.4673 -12.4669 -12.4669 -11.7721 -11.7718 -11.7713 -11.7711 -1.1831 -1.1830 -1.1819 -1.1818 -0.3149 -0.3148 -0.3139 -0.3138 1.0008 1.0009 1.0020 1.0021 1.4571 1.4572 1.4597 1.4598 2.2375 2.2377 2.2380 2.2383 3.7385 3.7387 3.7391 3.7393 5.1034 5.1036 5.1194 5.1196 5.2982 5.2985 5.3057 5.3060 5.8235 5.8236 5.8339 5.8340 6.9908 6.9908 7.0055 7.0056 7.2434 7.2435 k = 0.1224 1.0762 0.8316 ( 2736 PWs) bands (ev): -12.4675 -12.4674 -12.4671 -12.4670 -11.7724 -11.7721 -11.7716 -11.7713 -1.1821 -1.1820 -1.1809 -1.1809 -0.3155 -0.3154 -0.3145 -0.3143 0.9997 0.9998 1.0011 1.0012 1.4573 1.4574 1.4600 1.4601 2.2425 2.2428 2.2432 2.2434 3.7357 3.7360 3.7364 3.7366 5.0980 5.0982 5.1165 5.1168 5.2984 5.2986 5.3070 5.3073 5.8241 5.8242 5.8363 5.8364 6.9801 6.9802 6.9959 6.9959 7.2516 7.2517 k = 0.1428 1.0762 0.8316 ( 2738 PWs) bands (ev): -12.4676 -12.4676 -12.4672 -12.4672 -11.7727 -11.7723 -11.7719 -11.7716 -1.1810 -1.1809 -1.1797 -1.1797 -0.3162 -0.3161 -0.3151 -0.3150 0.9983 0.9984 0.9999 1.0000 1.4578 1.4578 1.4605 1.4606 2.2480 2.2483 2.2487 2.2490 3.7327 3.7329 3.7334 3.7336 5.0924 5.0925 5.1132 5.1134 5.2987 5.2990 5.3083 5.3086 5.8249 5.8250 5.8387 5.8388 6.9690 6.9691 6.9855 6.9856 7.2603 7.2604 k = 0.1632 1.0762 0.8316 ( 2748 PWs) bands (ev): -12.4679 -12.4678 -12.4674 -12.4674 -11.7730 -11.7726 -11.7723 -11.7719 -1.1796 -1.1796 -1.1784 -1.1783 -0.3170 -0.3168 -0.3158 -0.3156 0.9967 0.9968 0.9985 0.9986 1.4585 1.4585 1.4613 1.4614 2.2537 2.2540 2.2545 2.2548 3.7293 3.7296 3.7301 3.7303 5.0866 5.0867 5.1095 5.1097 5.2993 5.2996 5.3097 5.3099 5.8258 5.8259 5.8410 5.8411 6.9577 6.9578 6.9748 6.9748 7.2692 7.2693 k = 0.1836 1.0762 0.8316 ( 2746 PWs) bands (ev): -12.4681 -12.4680 -12.4677 -12.4676 -11.7734 -11.7730 -11.7727 -11.7722 -1.1781 -1.1781 -1.1769 -1.1768 -0.3177 -0.3175 -0.3165 -0.3163 0.9950 0.9951 0.9969 0.9970 1.4595 1.4596 1.4625 1.4625 2.2594 2.2597 2.2603 2.2605 3.7258 3.7261 3.7266 3.7269 5.0809 5.0811 5.1057 5.1059 5.3002 5.3004 5.3112 5.3114 5.8268 5.8269 5.8433 5.8434 6.9466 6.9466 6.9640 6.9641 7.2781 7.2782 k = 0.2040 1.0762 0.8316 ( 2748 PWs) bands (ev): -12.4684 -12.4683 -12.4679 -12.4678 -11.7739 -11.7734 -11.7731 -11.7726 -1.1764 -1.1764 -1.1752 -1.1751 -0.3184 -0.3182 -0.3171 -0.3170 0.9930 0.9931 0.9951 0.9952 1.4609 1.4610 1.4640 1.4640 2.2649 2.2652 2.2658 2.2661 3.7222 3.7225 3.7230 3.7233 5.0755 5.0757 5.1019 5.1021 5.3012 5.3015 5.3127 5.3130 5.8278 5.8279 5.8453 5.8455 6.9356 6.9356 6.9534 6.9534 7.2869 7.2870 k = 0.2244 1.0762 0.8316 ( 2750 PWs) bands (ev): -12.4687 -12.4686 -12.4682 -12.4681 -11.7744 -11.7738 -11.7736 -11.7731 -1.1746 -1.1745 -1.1733 -1.1732 -0.3191 -0.3189 -0.3177 -0.3176 0.9909 0.9910 0.9931 0.9932 1.4627 1.4627 1.4658 1.4659 2.2699 2.2702 2.2709 2.2712 3.7186 3.7189 3.7195 3.7198 5.0705 5.0706 5.0982 5.0984 5.3026 5.3028 5.3144 5.3146 5.8287 5.8288 5.8472 5.8474 6.9250 6.9251 6.9430 6.9431 7.2954 7.2955 k = 0.2448 1.0762 0.8316 ( 2750 PWs) bands (ev): -12.4691 -12.4690 -12.4686 -12.4685 -11.7749 -11.7743 -11.7741 -11.7735 -1.1725 -1.1725 -1.1712 -1.1712 -0.3196 -0.3194 -0.3183 -0.3181 0.9886 0.9887 0.9910 0.9911 1.4647 1.4648 1.4680 1.4680 2.2743 2.2746 2.2754 2.2757 3.7151 3.7154 3.7161 3.7165 5.0659 5.0661 5.0949 5.0951 5.3042 5.3044 5.3163 5.3165 5.8295 5.8297 5.8488 5.8490 6.9150 6.9150 6.9332 6.9332 7.3035 7.3036 k = 0.2652 1.0762 0.8316 ( 2748 PWs) bands (ev): -12.4694 -12.4693 -12.4689 -12.4688 -11.7754 -11.7748 -11.7746 -11.7740 -1.1703 -1.1702 -1.1690 -1.1689 -0.3200 -0.3198 -0.3186 -0.3184 0.9862 0.9864 0.9887 0.9889 1.4670 1.4671 1.4704 1.4704 2.2779 2.2782 2.2791 2.2794 3.7119 3.7122 3.7131 3.7134 5.0620 5.0621 5.0920 5.0921 5.3061 5.3063 5.3183 5.3185 5.8302 5.8303 5.8501 5.8503 6.9055 6.9056 6.9239 6.9240 7.3112 7.3113 k = 0.2652 1.0762 0.8316 ( 2748 PWs) bands (ev): -12.4694 -12.4693 -12.4689 -12.4688 -11.7754 -11.7748 -11.7746 -11.7740 -1.1703 -1.1702 -1.1690 -1.1689 -0.3200 -0.3198 -0.3186 -0.3184 0.9862 0.9864 0.9887 0.9889 1.4670 1.4671 1.4704 1.4704 2.2779 2.2782 2.2791 2.2794 3.7119 3.7122 3.7131 3.7134 5.0620 5.0621 5.0920 5.0921 5.3061 5.3063 5.3183 5.3185 5.8302 5.8303 5.8501 5.8503 6.9055 6.9056 6.9239 6.9240 7.3112 7.3113 k = 0.2604 1.0566 0.8316 ( 2748 PWs) bands (ev): -12.4680 -12.4680 -12.4676 -12.4675 -11.7734 -11.7730 -11.7727 -11.7722 -1.1784 -1.1784 -1.1771 -1.1771 -0.3181 -0.3180 -0.3169 -0.3167 0.9957 0.9958 0.9977 0.9978 1.4569 1.4570 1.4599 1.4599 2.2649 2.2652 2.2658 2.2661 3.7241 3.7244 3.7249 3.7252 5.0771 5.0773 5.1028 5.1030 5.2988 5.2991 5.3103 5.3106 5.8279 5.8280 5.8455 5.8456 6.9431 6.9432 6.9607 6.9608 7.2803 7.2804 k = 0.2555 1.0371 0.8316 ( 2748 PWs) bands (ev): -12.4672 -12.4672 -12.4668 -12.4668 -11.7721 -11.7719 -11.7713 -11.7711 -1.1837 -1.1836 -1.1824 -1.1824 -0.3153 -0.3151 -0.3142 -0.3141 1.0039 1.0040 1.0053 1.0054 1.4468 1.4468 1.4494 1.4494 2.2522 2.2524 2.2531 2.2533 3.7357 3.7360 3.7364 3.7367 5.0924 5.0925 5.1125 5.1128 5.2940 5.2943 5.3040 5.3042 5.8258 5.8259 5.8409 5.8411 6.9804 6.9805 6.9972 6.9973 7.2494 7.2495 k = 0.2507 1.0175 0.8316 ( 2736 PWs) bands (ev): -12.4669 -12.4669 -12.4666 -12.4666 -11.7714 -11.7714 -11.7707 -11.7706 -1.1861 -1.1860 -1.1848 -1.1848 -0.3116 -0.3115 -0.3106 -0.3105 1.0104 1.0105 1.0113 1.0114 1.4368 1.4368 1.4394 1.4394 2.2399 2.2401 2.2410 2.2413 3.7463 3.7467 3.7474 3.7478 5.1069 5.1071 5.1204 5.1206 5.2927 5.2929 5.2999 5.3002 5.8237 5.8238 5.8364 5.8366 7.0166 7.0166 7.0327 7.0327 7.2194 7.2195 k = 0.2459 0.9979 0.8316 ( 2740 PWs) bands (ev): -12.4673 -12.4673 -12.4669 -12.4669 -11.7715 -11.7714 -11.7708 -11.7706 -1.1855 -1.1855 -1.1843 -1.1843 -0.3070 -0.3070 -0.3061 -0.3061 1.0147 1.0148 1.0152 1.0152 1.4273 1.4273 1.4302 1.4302 2.2284 2.2286 2.2299 2.2302 3.7560 3.7564 3.7577 3.7581 5.1197 5.1199 5.1257 5.1259 5.2952 5.2955 5.2989 5.2992 5.8214 5.8215 5.8318 5.8319 7.0490 7.0490 7.0650 7.0651 7.1925 7.1926 k = 0.2411 0.9784 0.8316 ( 2740 PWs) bands (ev): -12.4682 -12.4682 -12.4678 -12.4678 -11.7724 -11.7720 -11.7716 -11.7712 -1.1821 -1.1820 -1.1809 -1.1808 -0.3017 -0.3016 -0.3007 -0.3007 1.0162 1.0163 1.0170 1.0171 1.4184 1.4185 1.4220 1.4220 2.2181 2.2184 2.2202 2.2204 3.7647 3.7651 3.7671 3.7674 5.1274 5.1276 5.1310 5.1312 5.3009 5.3012 5.3028 5.3030 5.8189 5.8190 5.8271 5.8273 7.0692 7.0693 7.0886 7.0887 7.1755 7.1756 k = 0.2362 0.9588 0.8316 ( 2736 PWs) bands (ev): -12.4697 -12.4697 -12.4693 -12.4692 -11.7738 -11.7732 -11.7730 -11.7725 -1.1757 -1.1756 -1.1745 -1.1744 -0.2957 -0.2956 -0.2946 -0.2945 1.0148 1.0149 1.0164 1.0165 1.4106 1.4106 1.4149 1.4149 2.2096 2.2098 2.2121 2.2123 3.7722 3.7725 3.7752 3.7756 5.1277 5.1279 5.1388 5.1390 5.3078 5.3081 5.3130 5.3133 5.8159 5.8160 5.8225 5.8226 7.0651 7.0652 7.0896 7.0897 7.1818 7.1819 k = 0.2314 0.9392 0.8316 ( 2744 PWs) bands (ev): -12.4718 -12.4717 -12.4713 -12.4712 -11.7759 -11.7751 -11.7751 -11.7744 -1.1665 -1.1664 -1.1653 -1.1652 -0.2889 -0.2888 -0.2877 -0.2875 1.0106 1.0107 1.0128 1.0129 1.4037 1.4038 1.4089 1.4089 2.2031 2.2033 2.2061 2.2063 3.7783 3.7786 3.7820 3.7823 5.1263 5.1264 5.1444 5.1446 5.3181 5.3183 5.3264 5.3267 5.8119 5.8121 5.8180 5.8181 7.0417 7.0418 7.0680 7.0681 7.2099 7.2099 k = 0.2266 0.9197 0.8316 ( 2740 PWs) bands (ev): -12.4745 -12.4744 -12.4738 -12.4737 -11.7786 -11.7778 -11.7776 -11.7769 -1.1544 -1.1543 -1.1532 -1.1531 -0.2815 -0.2813 -0.2800 -0.2798 1.0034 1.0035 1.0063 1.0064 1.3978 1.3979 1.4038 1.4038 2.1992 2.1994 2.2026 2.2028 3.7828 3.7832 3.7872 3.7875 5.1242 5.1243 5.1482 5.1483 5.3312 5.3314 5.3419 5.3421 5.8069 5.8071 5.8140 5.8142 7.0104 7.0105 7.0373 7.0375 7.2462 7.2462 k = 0.2218 0.9001 0.8316 ( 2736 PWs) bands (ev): -12.4777 -12.4776 -12.4769 -12.4768 -11.7818 -11.7811 -11.7807 -11.7799 -1.1396 -1.1395 -1.1383 -1.1383 -0.2733 -0.2731 -0.2716 -0.2714 0.9935 0.9936 0.9970 0.9971 1.3928 1.3928 1.3994 1.3995 2.1983 2.1985 2.2020 2.2022 3.7857 3.7860 3.7906 3.7909 5.1223 5.1224 5.1510 5.1512 5.3463 5.3465 5.3587 5.3588 5.8009 5.8011 5.8102 5.8104 6.9759 6.9760 7.0035 7.0036 7.2853 7.2853 k = 0.2170 0.8805 0.8316 ( 2740 PWs) bands (ev): -12.4814 -12.4813 -12.4806 -12.4804 -11.7857 -11.7849 -11.7844 -11.7836 -1.1221 -1.1220 -1.1208 -1.1208 -0.2646 -0.2644 -0.2627 -0.2624 0.9810 0.9811 0.9849 0.9850 1.3883 1.3883 1.3955 1.3955 2.2007 2.2009 2.2047 2.2049 3.7866 3.7869 3.7921 3.7924 5.1211 5.1212 5.1537 5.1538 5.3622 5.3624 5.3760 5.3761 5.7940 5.7941 5.8063 5.8064 6.9399 6.9400 6.9682 6.9683 7.3255 7.3256 k = 0.2121 0.8610 0.8316 ( 2740 PWs) bands (ev): -12.4857 -12.4856 -12.4848 -12.4846 -11.7901 -11.7893 -11.7886 -11.7878 -1.1020 -1.1020 -1.1007 -1.1007 -0.2553 -0.2551 -0.2531 -0.2529 0.9661 0.9662 0.9704 0.9705 1.3841 1.3842 1.3918 1.3918 2.2067 2.2069 2.2109 2.2111 3.7856 3.7859 3.7914 3.7917 5.1212 5.1213 5.1569 5.1570 5.3782 5.3784 5.3934 5.3936 5.7864 5.7865 5.8021 5.8022 6.9031 6.9033 6.9321 6.9322 7.3662 7.3663 k = 0.2073 0.8414 0.8316 ( 2740 PWs) bands (ev): -12.4905 -12.4904 -12.4895 -12.4894 -11.7949 -11.7942 -11.7933 -11.7925 -1.0795 -1.0794 -1.0781 -1.0781 -0.2455 -0.2453 -0.2430 -0.2428 0.9492 0.9493 0.9538 0.9539 1.3801 1.3801 1.3880 1.3881 2.2165 2.2167 2.2209 2.2211 3.7824 3.7827 3.7886 3.7889 5.1229 5.1229 5.1609 5.1610 5.3936 5.3938 5.4106 5.4108 5.7780 5.7782 5.7976 5.7977 6.8661 6.8662 6.8958 6.8959 7.4069 7.4070 k = 0.2025 0.8218 0.8316 ( 2728 PWs) bands (ev): -12.4959 -12.4957 -12.4947 -12.4946 -11.8003 -11.7996 -11.7985 -11.7977 -1.0546 -1.0546 -1.0532 -1.0532 -0.2353 -0.2350 -0.2324 -0.2322 0.9307 0.9308 0.9354 0.9355 1.3761 1.3761 1.3842 1.3842 2.2302 2.2304 2.2347 2.2349 3.7771 3.7774 3.7835 3.7838 5.1262 5.1263 5.1662 5.1663 5.4079 5.4080 5.4273 5.4274 5.7692 5.7693 5.7929 5.7930 6.8292 6.8293 6.8595 6.8597 7.4473 7.4474 k = 0.1977 0.8023 0.8316 ( 2728 PWs) bands (ev): -12.5017 -12.5016 -12.5005 -12.5003 -11.8061 -11.8054 -11.8042 -11.8034 -1.0276 -1.0276 -1.0262 -1.0261 -0.2246 -0.2244 -0.2215 -0.2213 0.9108 0.9109 0.9156 0.9157 1.3720 1.3720 1.3801 1.3801 2.2478 2.2480 2.2524 2.2525 3.7697 3.7699 3.7761 3.7764 5.1314 5.1314 5.1728 5.1729 5.4205 5.4206 5.4430 5.4431 5.7596 5.7597 5.7878 5.7879 6.7926 6.7927 6.8235 6.8236 7.4871 7.4872 k = 0.1929 0.7827 0.8316 ( 2728 PWs) bands (ev): -12.5080 -12.5079 -12.5067 -12.5066 -11.8123 -11.8116 -11.8102 -11.8095 -0.9986 -0.9986 -0.9971 -0.9971 -0.2137 -0.2134 -0.2103 -0.2100 0.8900 0.8901 0.8948 0.8949 1.3678 1.3679 1.3759 1.3759 2.2691 2.2693 2.2737 2.2739 3.7600 3.7603 3.7664 3.7667 5.1383 5.1383 5.1809 5.1809 5.4312 5.4313 5.4574 5.4575 5.7495 5.7496 5.7825 5.7826 6.7565 6.7566 6.7881 6.7882 7.5260 7.5261 k = 0.1880 0.7631 0.8316 ( 2720 PWs) bands (ev): -12.5148 -12.5147 -12.5134 -12.5133 -11.8189 -11.8182 -11.8167 -11.8160 -0.9679 -0.9678 -0.9662 -0.9662 -0.2025 -0.2023 -0.1988 -0.1985 0.8686 0.8687 0.8733 0.8734 1.3638 1.3638 1.3717 1.3718 2.2940 2.2942 2.2986 2.2988 3.7483 3.7486 3.7545 3.7548 5.1470 5.1470 5.1904 5.1904 5.4397 5.4398 5.4702 5.4703 5.7390 5.7391 5.7771 5.7773 6.7213 6.7214 6.7534 6.7535 7.5637 7.5638 k = 0.1832 0.7436 0.8316 ( 2724 PWs) bands (ev): -12.5221 -12.5219 -12.5206 -12.5205 -11.8259 -11.8251 -11.8235 -11.8228 -0.9355 -0.9355 -0.9338 -0.9337 -0.1912 -0.1910 -0.1872 -0.1869 0.8470 0.8470 0.8516 0.8517 1.3600 1.3600 1.3678 1.3678 2.3222 2.3224 2.3268 2.3270 3.7345 3.7348 3.7405 3.7408 5.1572 5.1572 5.2010 5.2011 5.4458 5.4459 5.4810 5.4810 5.7282 5.7284 5.7717 5.7718 6.6872 6.6873 6.7197 6.7198 7.5999 7.6000 k = 0.1784 0.7240 0.8316 ( 2728 PWs) bands (ev): -12.5297 -12.5296 -12.5282 -12.5281 -11.8331 -11.8324 -11.8306 -11.8299 -0.9020 -0.9019 -0.9000 -0.9000 -0.1799 -0.1797 -0.1756 -0.1753 0.8255 0.8256 0.8300 0.8301 1.3567 1.3567 1.3642 1.3642 2.3534 2.3536 2.3581 2.3582 3.7188 3.7190 3.7245 3.7247 5.1688 5.1688 5.2128 5.2128 5.4493 5.4494 5.4895 5.4895 5.7175 5.7176 5.7663 5.7664 6.6543 6.6544 6.6872 6.6873 7.6342 7.6343 k = 0.1736 0.7044 0.8316 ( 2728 PWs) bands (ev): -12.5378 -12.5377 -12.5362 -12.5361 -11.8406 -11.8399 -11.8380 -11.8373 -0.8674 -0.8673 -0.8653 -0.8652 -0.1687 -0.1684 -0.1640 -0.1638 0.8046 0.8047 0.8089 0.8090 1.3541 1.3541 1.3613 1.3614 2.3873 2.3875 2.3920 2.3921 3.7013 3.7016 3.7066 3.7069 5.1814 5.1814 5.2254 5.2254 5.4504 5.4505 5.4954 5.4955 5.7072 5.7073 5.7612 5.7612 6.6230 6.6231 6.6561 6.6562 7.6662 7.6663 k = 0.1687 0.6849 0.8316 ( 2730 PWs) bands (ev): -12.5463 -12.5461 -12.5446 -12.5445 -11.8483 -11.8476 -11.8457 -11.8449 -0.8321 -0.8320 -0.8298 -0.8297 -0.1576 -0.1574 -0.1527 -0.1524 0.7848 0.7849 0.7888 0.7889 1.3524 1.3524 1.3594 1.3594 2.4235 2.4237 2.4282 2.4284 3.6821 3.6824 3.6870 3.6873 5.1946 5.1946 5.2384 5.2385 5.4491 5.4492 5.4985 5.4986 5.6976 5.6977 5.7561 5.7562 6.5934 6.5935 6.6267 6.6268 7.6956 7.6957 k = 0.1639 0.6653 0.8316 ( 2734 PWs) bands (ev): -12.5551 -12.5550 -12.5534 -12.5533 -11.8562 -11.8555 -11.8535 -11.8528 -0.7964 -0.7964 -0.7940 -0.7939 -0.1469 -0.1467 -0.1417 -0.1414 0.7663 0.7664 0.7702 0.7702 1.3519 1.3519 1.3586 1.3586 2.4617 2.4619 2.4665 2.4667 3.6615 3.6617 3.6659 3.6662 5.2079 5.2080 5.2514 5.2514 5.4457 5.4459 5.4989 5.4990 5.6889 5.6890 5.7514 5.7515 6.5657 6.5658 6.5991 6.5992 7.7219 7.7220 k = 0.1591 0.6457 0.8316 ( 2734 PWs) bands (ev): -12.5642 -12.5641 -12.5625 -12.5624 -11.8642 -11.8635 -11.8615 -11.8607 -0.7609 -0.7608 -0.7581 -0.7581 -0.1367 -0.1364 -0.1312 -0.1309 0.7498 0.7498 0.7533 0.7534 1.3528 1.3528 1.3593 1.3593 2.5016 2.5017 2.5065 2.5066 3.6394 3.6396 3.6435 3.6437 5.2206 5.2206 5.2637 5.2637 5.4409 5.4411 5.4969 5.4970 5.6815 5.6815 5.7468 5.7469 6.5401 6.5402 6.5736 6.5736 7.7447 7.7449 k = 0.1543 0.6262 0.8316 ( 2732 PWs) bands (ev): -12.5736 -12.5735 -12.5719 -12.5718 -11.8724 -11.8717 -11.8695 -11.8688 -0.7257 -0.7257 -0.7228 -0.7227 -0.1269 -0.1266 -0.1212 -0.1209 0.7355 0.7356 0.7388 0.7389 1.3553 1.3554 1.3616 1.3616 2.5427 2.5428 2.5477 2.5479 3.6162 3.6164 3.6200 3.6202 5.2317 5.2318 5.2744 5.2745 5.4355 5.4357 5.4932 5.4934 5.6752 5.6752 5.7425 5.7425 6.5168 6.5169 6.5501 6.5502 7.7637 7.7638 k = 0.1495 0.6066 0.8316 ( 2732 PWs) bands (ev): -12.5833 -12.5832 -12.5816 -12.5815 -11.8806 -11.8799 -11.8777 -11.8770 -0.6915 -0.6915 -0.6883 -0.6883 -0.1178 -0.1175 -0.1119 -0.1116 0.7240 0.7240 0.7271 0.7272 1.3598 1.3598 1.3658 1.3658 2.5847 2.5848 2.5899 2.5901 3.5919 3.5921 3.5955 3.5957 5.2400 5.2401 5.2825 5.2826 5.4308 5.4311 5.4890 5.4892 5.6699 5.6700 5.7382 5.7382 6.4957 6.4958 6.5288 6.5289 7.7787 7.7792 k = 0.1446 0.5870 0.8316 ( 2730 PWs) bands (ev): -12.5932 -12.5931 -12.5915 -12.5914 -11.8888 -11.8881 -11.8859 -11.8852 -0.6587 -0.6586 -0.6553 -0.6552 -0.1093 -0.1090 -0.1033 -0.1030 0.7156 0.7156 0.7185 0.7186 1.3663 1.3663 1.3721 1.3721 2.6272 2.6274 2.6327 2.6328 3.5666 3.5668 3.5703 3.5705 5.2441 5.2442 5.2867 5.2868 5.4284 5.4287 5.4859 5.4861 5.6655 5.6655 5.7339 5.7339 6.4771 6.4772 6.5099 6.5099 7.7891 7.7902 k = 0.1398 0.5675 0.8316 ( 2734 PWs) bands (ev): -12.6033 -12.6032 -12.6015 -12.6015 -11.8971 -11.8964 -11.8942 -11.8934 -0.6278 -0.6277 -0.6242 -0.6241 -0.1014 -0.1011 -0.0953 -0.0951 0.7106 0.7106 0.7135 0.7135 1.3751 1.3751 1.3806 1.3807 2.6699 2.6700 2.6756 2.6758 3.5406 3.5408 3.5444 3.5446 5.2428 5.2429 5.2859 5.2859 5.4296 5.4298 5.4852 5.4854 5.6615 5.6615 5.7295 5.7295 6.4608 6.4609 6.4932 6.4932 7.7952 7.7956 k = 0.1350 0.5479 0.8316 ( 2730 PWs) bands (ev): -12.6136 -12.6135 -12.6118 -12.6117 -11.9053 -11.9046 -11.9024 -11.9017 -0.5992 -0.5992 -0.5955 -0.5955 -0.0939 -0.0937 -0.0879 -0.0877 0.7094 0.7094 0.7122 0.7122 1.3863 1.3863 1.3917 1.3917 2.7123 2.7125 2.7184 2.7186 3.5140 3.5142 3.5182 3.5184 5.2357 5.2358 5.2796 5.2796 5.4348 5.4350 5.4878 5.4881 5.6578 5.6578 5.7250 5.7251 6.4470 6.4471 6.4789 6.4790 7.7972 7.7976 k = 0.1302 0.5283 0.8316 ( 2734 PWs) bands (ev): -12.6239 -12.6238 -12.6222 -12.6221 -11.9134 -11.9127 -11.9105 -11.9098 -0.5736 -0.5736 -0.5698 -0.5698 -0.0869 -0.0866 -0.0810 -0.0808 0.7119 0.7120 0.7148 0.7149 1.4002 1.4002 1.4054 1.4055 2.7540 2.7542 2.7605 2.7607 3.4871 3.4873 3.4916 3.4919 5.2236 5.2237 5.2682 5.2682 5.4435 5.4438 5.4936 5.4938 5.6543 5.6544 5.7205 5.7205 6.4356 6.4357 6.4669 6.4670 7.7952 7.7960 k = 0.1254 0.5088 0.8316 ( 2738 PWs) bands (ev): -12.6344 -12.6343 -12.6326 -12.6325 -11.9215 -11.9208 -11.9186 -11.9179 -0.5514 -0.5514 -0.5476 -0.5476 -0.0799 -0.0797 -0.0742 -0.0740 0.7184 0.7185 0.7214 0.7215 1.4169 1.4169 1.4220 1.4220 2.7946 2.7948 2.8015 2.8017 3.4599 3.4602 3.4650 3.4652 5.2075 5.2076 5.2528 5.2528 5.4548 5.4550 5.5016 5.5019 5.6511 5.6512 5.7159 5.7160 6.4266 6.4266 6.4573 6.4573 7.7896 7.7902 k = 0.1205 0.4892 0.8316 ( 2730 PWs) bands (ev): -12.6448 -12.6448 -12.6431 -12.6430 -11.9294 -11.9287 -11.9266 -11.9259 -0.5329 -0.5329 -0.5292 -0.5291 -0.0727 -0.0725 -0.0674 -0.0672 0.7287 0.7288 0.7319 0.7321 1.4366 1.4366 1.4416 1.4416 2.8336 2.8338 2.8410 2.8412 3.4329 3.4331 3.4384 3.4387 5.1889 5.1889 5.2346 5.2346 5.4674 5.4676 5.5107 5.5109 5.6486 5.6486 5.7116 5.7116 6.4200 6.4201 6.4500 6.4501 7.7805 7.7820 k = 0.1157 0.4696 0.8316 ( 2732 PWs) bands (ev): -12.6553 -12.6552 -12.6536 -12.6535 -11.9372 -11.9365 -11.9344 -11.9337 -0.5184 -0.5184 -0.5148 -0.5148 -0.0652 -0.0650 -0.0603 -0.0601 0.7427 0.7428 0.7462 0.7463 1.4593 1.4593 1.4642 1.4642 2.8704 2.8707 2.8783 2.8786 3.4061 3.4064 3.4121 3.4124 5.1686 5.1686 5.2148 5.2148 5.4802 5.4804 5.5195 5.5197 5.6470 5.6471 5.7076 5.7076 6.4156 6.4156 6.4449 6.4450 7.7703 7.7705 k = 0.1109 0.4501 0.8316 ( 2732 PWs) bands (ev): -12.6657 -12.6656 -12.6641 -12.6640 -11.9448 -11.9441 -11.9421 -11.9414 -0.5080 -0.5080 -0.5047 -0.5047 -0.0571 -0.0570 -0.0528 -0.0526 0.7600 0.7602 0.7637 0.7639 1.4852 1.4852 1.4901 1.4901 2.9046 2.9048 2.9130 2.9133 3.3799 3.3802 3.3863 3.3866 5.1477 5.1478 5.1945 5.1945 5.4923 5.4924 5.5268 5.5270 5.6470 5.6471 5.7043 5.7044 6.4134 6.4134 6.4420 6.4421 7.7538 7.7560 k = 0.1061 0.4305 0.8316 ( 2732 PWs) bands (ev): -12.6761 -12.6760 -12.6745 -12.6744 -11.9523 -11.9516 -11.9496 -11.9489 -0.5017 -0.5017 -0.4987 -0.4986 -0.0485 -0.0483 -0.0446 -0.0445 0.7803 0.7805 0.7843 0.7845 1.5143 1.5143 1.5192 1.5192 2.9354 2.9357 2.9443 2.9446 3.3547 3.3550 3.3614 3.3617 5.1270 5.1271 5.1743 5.1744 5.5028 5.5029 5.5316 5.5317 5.6493 5.6494 5.7022 5.7022 6.4134 6.4134 6.4413 6.4413 7.7369 7.7370 k = 0.1012 0.4109 0.8316 ( 2728 PWs) bands (ev): -12.6863 -12.6862 -12.6847 -12.6846 -11.9595 -11.9588 -11.9569 -11.9562 -0.4992 -0.4991 -0.4965 -0.4964 -0.0392 -0.0391 -0.0359 -0.0358 0.8033 0.8035 0.8075 0.8077 1.5468 1.5468 1.5517 1.5517 2.9622 2.9625 2.9715 2.9718 3.3309 3.3312 3.3377 3.3380 5.1071 5.1071 5.1550 5.1550 5.5109 5.5110 5.5333 5.5334 5.6540 5.6541 5.7015 5.7016 6.4153 6.4154 6.4426 6.4426 7.7183 7.7202 k = 0.0964 0.3913 0.8316 ( 2732 PWs) bands (ev): -12.6963 -12.6962 -12.6948 -12.6947 -11.9665 -11.9658 -11.9639 -11.9633 -0.5001 -0.5001 -0.4977 -0.4977 -0.0295 -0.0294 -0.0268 -0.0267 0.8284 0.8286 0.8328 0.8330 1.5824 1.5824 1.5874 1.5874 2.9842 2.9845 2.9938 2.9941 3.3090 3.3094 3.3156 3.3160 5.0884 5.0884 5.1370 5.1370 5.5159 5.5160 5.5323 5.5324 5.6609 5.6611 5.7027 5.7028 6.4193 6.4193 6.4458 6.4459 7.6979 7.6989 k = 0.0916 0.3718 0.8316 ( 2736 PWs) bands (ev): -12.7061 -12.7061 -12.7047 -12.7046 -11.9732 -11.9726 -11.9708 -11.9701 -0.5040 -0.5039 -0.5019 -0.5019 -0.0195 -0.0194 -0.0174 -0.0173 0.8552 0.8554 0.8598 0.8600 1.6213 1.6213 1.6264 1.6264 3.0007 3.0010 3.0102 3.0106 3.2897 3.2901 3.2957 3.2961 5.0714 5.0714 5.1207 5.1207 5.5171 5.5172 5.5295 5.5296 5.6695 5.6697 5.7057 5.7058 6.4250 6.4250 6.4510 6.4510 7.6763 7.6764 k = 0.0868 0.3522 0.8316 ( 2732 PWs) bands (ev): -12.7157 -12.7157 -12.7143 -12.7143 -11.9797 -11.9790 -11.9773 -11.9767 -0.5103 -0.5103 -0.5086 -0.5086 -0.0095 -0.0094 -0.0078 -0.0077 0.8834 0.8836 0.8881 0.8883 1.6632 1.6632 1.6684 1.6685 3.0109 3.0112 3.0201 3.0204 3.2735 3.2739 3.2784 3.2788 5.0563 5.0563 5.1064 5.1064 5.5143 5.5144 5.5264 5.5264 5.6790 5.6792 5.7105 5.7106 6.4325 6.4325 6.4579 6.4580 7.6538 7.6541 k = 0.0820 0.3326 0.8316 ( 2734 PWs) bands (ev): -12.7250 -12.7250 -12.7237 -12.7236 -11.9859 -11.9852 -11.9836 -11.9830 -0.5186 -0.5186 -0.5172 -0.5171 0.0004 0.0004 0.0017 0.0017 0.9125 0.9127 0.9172 0.9174 1.7080 1.7080 1.7134 1.7135 3.0143 3.0146 3.0230 3.0233 3.2606 3.2610 3.2640 3.2645 5.0433 5.0433 5.0942 5.0942 5.5085 5.5085 5.5227 5.5228 5.6888 5.6889 5.7167 5.7168 6.4417 6.4417 6.4666 6.4666 7.6305 7.6306 k = 0.0771 0.3131 0.8316 ( 2742 PWs) bands (ev): -12.7340 -12.7340 -12.7327 -12.7327 -11.9918 -11.9912 -11.9897 -11.9890 -0.5284 -0.5283 -0.5272 -0.5272 0.0099 0.0100 0.0109 0.0109 0.9421 0.9423 0.9469 0.9471 1.7554 1.7554 1.7611 1.7612 3.0111 3.0114 3.0191 3.0194 3.2506 3.2510 3.2525 3.2529 5.0326 5.0326 5.0841 5.0841 5.5012 5.5012 5.5183 5.5183 5.6983 5.6985 5.7236 5.7237 6.4522 6.4522 6.4767 6.4767 7.6067 7.6069 k = 0.0723 0.2935 0.8316 ( 2738 PWs) bands (ev): -12.7426 -12.7426 -12.7414 -12.7414 -11.9974 -11.9968 -11.9954 -11.9947 -0.5392 -0.5391 -0.5382 -0.5382 0.0190 0.0191 0.0197 0.0198 0.9719 0.9720 0.9766 0.9768 1.8051 1.8052 1.8112 1.8113 3.0018 3.0020 3.0095 3.0097 3.2419 3.2421 3.2439 3.2442 5.0241 5.0242 5.0761 5.0762 5.4935 5.4936 5.5131 5.5131 5.7074 5.7076 5.7309 5.7311 6.4641 6.4642 6.4883 6.4884 7.5828 7.5829 k = 0.0675 0.2739 0.8316 ( 2738 PWs) bands (ev): -12.7509 -12.7508 -12.7497 -12.7497 -12.0027 -12.0021 -12.0008 -12.0001 -0.5506 -0.5506 -0.5499 -0.5498 0.0276 0.0276 0.0281 0.0282 1.0015 1.0017 1.0062 1.0064 1.8569 1.8570 1.8634 1.8634 2.9875 2.9876 2.9953 2.9954 3.2333 3.2335 3.2369 3.2371 5.0178 5.0178 5.0700 5.0700 5.4861 5.4862 5.5076 5.5076 5.7157 5.7159 5.7382 5.7384 6.4772 6.4772 6.5011 6.5011 7.5589 7.5590 k = 0.0627 0.2544 0.8316 ( 2742 PWs) bands (ev): -12.7587 -12.7586 -12.7576 -12.7576 -12.0077 -12.0070 -12.0059 -12.0052 -0.5624 -0.5624 -0.5618 -0.5618 0.0355 0.0356 0.0359 0.0360 1.0308 1.0310 1.0354 1.0356 1.9103 1.9104 1.9173 1.9173 2.9693 2.9695 2.9777 2.9778 3.2245 3.2248 3.2297 3.2299 5.0134 5.0134 5.0654 5.0654 5.4796 5.4796 5.5021 5.5021 5.7231 5.7233 5.7450 5.7452 6.4912 6.4912 6.5148 6.5148 7.5354 7.5355 k = 0.0579 0.2348 0.8316 ( 2742 PWs) bands (ev): -12.7660 -12.7660 -12.7651 -12.7650 -12.0123 -12.0116 -12.0106 -12.0100 -0.5743 -0.5742 -0.5737 -0.5737 0.0428 0.0428 0.0432 0.0432 1.0594 1.0596 1.0639 1.0641 1.9650 1.9651 1.9725 1.9726 2.9486 2.9487 2.9577 2.9578 3.2149 3.2152 3.2214 3.2216 5.0107 5.0107 5.0619 5.0619 5.4742 5.4742 5.4972 5.4972 5.7296 5.7298 5.7512 5.7513 6.5059 6.5059 6.5293 6.5293 7.5125 7.5126 k = 0.0530 0.2152 0.8316 ( 2746 PWs) bands (ev): -12.7729 -12.7729 -12.7720 -12.7720 -12.0166 -12.0159 -12.0150 -12.0144 -0.5859 -0.5858 -0.5854 -0.5854 0.0494 0.0494 0.0498 0.0498 1.0871 1.0873 1.0915 1.0916 2.0205 2.0206 2.0286 2.0287 2.9260 2.9262 2.9360 2.9361 3.2040 3.2042 3.2115 3.2117 5.0093 5.0093 5.0592 5.0592 5.4704 5.4704 5.4931 5.4931 5.7352 5.7354 5.7565 5.7566 6.5211 6.5212 6.5442 6.5442 7.4905 7.4906 k = 0.0482 0.1957 0.8316 ( 2754 PWs) bands (ev): -12.7793 -12.7793 -12.7785 -12.7784 -12.0205 -12.0198 -12.0191 -12.0184 -0.5970 -0.5970 -0.5967 -0.5967 0.0553 0.0554 0.0557 0.0558 1.1137 1.1138 1.1178 1.1179 2.0765 2.0766 2.0851 2.0852 2.9023 2.9024 2.9131 2.9132 3.1916 3.1918 3.1997 3.1999 5.0088 5.0088 5.0567 5.0568 5.4682 5.4682 5.4900 5.4900 5.7398 5.7400 5.7608 5.7610 6.5365 6.5366 6.5591 6.5592 7.4698 7.4699 k = 0.0434 0.1761 0.8316 ( 2754 PWs) bands (ev): -12.7851 -12.7851 -12.7844 -12.7843 -12.0240 -12.0234 -12.0228 -12.0221 -0.6076 -0.6076 -0.6073 -0.6073 0.0606 0.0607 0.0610 0.0611 1.1388 1.1389 1.1426 1.1428 2.1324 2.1325 2.1418 2.1419 2.8778 2.8779 2.8896 2.8897 3.1778 3.1779 3.1862 3.1863 5.0091 5.0092 5.0543 5.0544 5.4679 5.4680 5.4882 5.4883 5.7435 5.7437 5.7641 5.7642 6.5520 6.5520 6.5739 6.5740 7.4505 7.4506 k = 0.0386 0.1565 0.8316 ( 2754 PWs) bands (ev): -12.7904 -12.7904 -12.7897 -12.7897 -12.0272 -12.0266 -12.0261 -12.0254 -0.6174 -0.6174 -0.6171 -0.6171 0.0653 0.0653 0.0657 0.0658 1.1622 1.1623 1.1658 1.1659 2.1879 2.1880 2.1979 2.1981 2.8527 2.8528 2.8654 2.8655 3.1627 3.1628 3.1712 3.1713 5.0099 5.0099 5.0517 5.0517 5.4694 5.4695 5.4877 5.4878 5.7464 5.7466 5.7663 5.7665 6.5671 6.5671 6.5882 6.5883 7.4331 7.4332 k = 0.0337 0.1370 0.8316 ( 2750 PWs) bands (ev): -12.7951 -12.7951 -12.7945 -12.7945 -12.0301 -12.0294 -12.0290 -12.0284 -0.6263 -0.6263 -0.6261 -0.6261 0.0694 0.0694 0.0698 0.0698 1.1837 1.1838 1.1869 1.1871 2.2424 2.2425 2.2532 2.2534 2.8272 2.8273 2.8408 2.8409 3.1469 3.1470 3.1552 3.1553 5.0109 5.0110 5.0487 5.0487 5.4724 5.4726 5.4884 5.4885 5.7486 5.7488 5.7675 5.7677 6.5816 6.5816 6.6015 6.6016 7.4177 7.4177 k = 0.0289 0.1174 0.8316 ( 2750 PWs) bands (ev): -12.7992 -12.7992 -12.7987 -12.7987 -12.0325 -12.0319 -12.0316 -12.0310 -0.6342 -0.6342 -0.6340 -0.6340 0.0729 0.0729 0.0732 0.0733 1.2030 1.2031 1.2059 1.2060 2.2955 2.2956 2.3070 2.3072 2.8014 2.8015 2.8158 2.8159 3.1309 3.1310 3.1388 3.1389 5.0121 5.0121 5.0452 5.0453 5.4767 5.4768 5.4901 5.4902 5.7503 5.7505 5.7678 5.7680 6.5952 6.5953 6.6136 6.6136 7.4044 7.4045 k = 0.0241 0.0978 0.8316 ( 2742 PWs) bands (ev): -12.8027 -12.8027 -12.8023 -12.8023 -12.0346 -12.0339 -12.0338 -12.0332 -0.6410 -0.6410 -0.6409 -0.6408 0.0758 0.0758 0.0761 0.0761 1.2199 1.2200 1.2224 1.2225 2.3465 2.3467 2.3587 2.3589 2.7752 2.7753 2.7902 2.7903 3.1155 3.1156 3.1226 3.1227 5.0133 5.0134 5.0414 5.0415 5.4817 5.4818 5.4925 5.4927 5.7516 5.7518 5.7673 5.7675 6.6077 6.6077 6.6240 6.6241 7.3936 7.3937 k = 0.0193 0.0783 0.8316 ( 2738 PWs) bands (ev): -12.8056 -12.8055 -12.8052 -12.8052 -12.0363 -12.0357 -12.0356 -12.0350 -0.6467 -0.6466 -0.6466 -0.6465 0.0781 0.0782 0.0784 0.0784 1.2342 1.2343 1.2362 1.2364 2.3949 2.3951 2.4074 2.4076 2.7489 2.7490 2.7641 2.7642 3.1015 3.1015 3.1076 3.1077 5.0147 5.0148 5.0375 5.0376 5.4868 5.4870 5.4952 5.4954 5.7528 5.7529 5.7661 5.7663 6.6187 6.6188 6.6325 6.6326 7.3853 7.3853 k = 0.0145 0.0587 0.8316 ( 2740 PWs) bands (ev): -12.8078 -12.8078 -12.8076 -12.8075 -12.0375 -12.0371 -12.0369 -12.0365 -0.6511 -0.6511 -0.6511 -0.6510 0.0800 0.0800 0.0802 0.0802 1.2456 1.2457 1.2471 1.2472 2.4395 2.4397 2.4520 2.4522 2.7229 2.7231 2.7377 2.7378 3.0896 3.0897 3.0945 3.0945 5.0163 5.0164 5.0335 5.0336 5.4916 5.4918 5.4977 5.4979 5.7539 5.7540 5.7644 5.7646 6.6281 6.6281 6.6389 6.6390 7.3794 7.3795 k = 0.0096 0.0391 0.8316 ( 2748 PWs) bands (ev): -12.8094 -12.8094 -12.8092 -12.8092 -12.0385 -12.0382 -12.0378 -12.0375 -0.6544 -0.6543 -0.6543 -0.6543 0.0812 0.0813 0.0814 0.0814 1.2539 1.2540 1.2549 1.2550 2.4787 2.4790 2.4900 2.4903 2.6990 2.6991 2.7119 2.7120 3.0807 3.0808 3.0841 3.0842 5.0182 5.0183 5.0298 5.0299 5.4956 5.4958 5.4995 5.4997 5.7551 5.7553 5.7624 5.7626 6.6355 6.6355 6.6430 6.6430 7.3760 7.3761 k = 0.0048 0.0196 0.8316 ( 2744 PWs) bands (ev): -12.8103 -12.8103 -12.8103 -12.8102 -12.0390 -12.0388 -12.0383 -12.0382 -0.6563 -0.6563 -0.6562 -0.6562 0.0820 0.0820 0.0821 0.0821 1.2591 1.2592 1.2596 1.2597 2.5092 2.5095 2.5167 2.5170 2.6812 2.6813 2.6895 2.6896 3.0754 3.0755 3.0772 3.0773 5.0205 5.0207 5.0263 5.0265 5.4985 5.4988 5.5004 5.5007 5.7566 5.7568 5.7603 5.7605 6.6408 6.6409 6.6446 6.6447 7.3751 7.3752 k = 0.0000 0.0000 0.8316 ( 2744 PWs) bands (ev): -12.8106 -12.8106 -12.8106 -12.8106 -12.0391 -12.0391 -12.0385 -12.0385 -0.6569 -0.6569 -0.6569 -0.6569 0.0823 0.0823 0.0823 0.0823 1.2610 1.2610 1.2611 1.2611 2.5241 2.5241 2.5245 2.5245 2.6770 2.6770 2.6772 2.6772 3.0741 3.0741 3.0745 3.0745 5.0232 5.0232 5.0233 5.0233 5.5001 5.5001 5.5004 5.5004 5.7584 5.7584 5.7585 5.7585 6.6439 6.6439 6.6440 6.6440 7.3764 7.3765 k = 0.0000 0.0000 0.8316 ( 2744 PWs) bands (ev): -12.8106 -12.8106 -12.8106 -12.8106 -12.0391 -12.0391 -12.0385 -12.0385 -0.6569 -0.6569 -0.6569 -0.6569 0.0823 0.0823 0.0823 0.0823 1.2610 1.2610 1.2611 1.2611 2.5241 2.5241 2.5245 2.5245 2.6770 2.6770 2.6772 2.6772 3.0741 3.0741 3.0745 3.0745 5.0232 5.0232 5.0233 5.0233 5.5001 5.5001 5.5004 5.5004 5.7584 5.7584 5.7585 5.7585 6.6439 6.6439 6.6440 6.6440 7.3764 7.3765 k = 0.0000 0.0000 0.8114 ( 2744 PWs) bands (ev): -12.8405 -12.8405 -12.7811 -12.7811 -12.0448 -12.0448 -12.0329 -12.0329 -0.6849 -0.6849 -0.6281 -0.6281 0.0739 0.0739 0.0945 0.0945 1.2551 1.2551 1.2671 1.2671 2.5135 2.5135 2.5359 2.5359 2.6605 2.6605 2.6908 2.6908 3.0737 3.0738 3.0779 3.0780 5.0216 5.0217 5.0247 5.0247 5.4967 5.4967 5.5024 5.5025 5.7530 5.7530 5.7624 5.7624 6.5826 6.5826 6.7045 6.7045 7.3686 7.3686 k = 0.0000 0.0000 0.7911 ( 2748 PWs) bands (ev): -12.8708 -12.8708 -12.7519 -12.7519 -12.0510 -12.0510 -12.0273 -12.0273 -0.7118 -0.7117 -0.5991 -0.5991 0.0690 0.0690 0.1108 0.1108 1.2494 1.2494 1.2733 1.2733 2.5036 2.5036 2.5485 2.5485 2.6416 2.6416 2.7010 2.7010 3.0757 3.0758 3.0850 3.0851 5.0198 5.0199 5.0257 5.0258 5.4919 5.4919 5.5032 5.5033 5.7462 5.7462 5.7650 5.7650 6.5208 6.5208 6.7640 6.7640 7.3603 7.3603 k = 0.0000 0.0000 0.7708 ( 2756 PWs) bands (ev): -12.9013 -12.9013 -12.7233 -12.7233 -12.0575 -12.0575 -12.0218 -12.0218 -0.7370 -0.7370 -0.5703 -0.5703 0.0670 0.0670 0.1317 0.1317 1.2439 1.2439 1.2797 1.2797 2.4945 2.4945 2.5618 2.5619 2.6211 2.6211 2.7073 2.7073 3.0799 3.0800 3.0959 3.0960 5.0177 5.0178 5.0267 5.0268 5.4857 5.4858 5.5025 5.5026 5.7378 5.7378 5.7662 5.7662 6.4590 6.4590 6.8218 6.8218 7.3514 7.3514 k = 0.0000 0.0000 0.7505 ( 2756 PWs) bands (ev): -12.9320 -12.9320 -12.6953 -12.6953 -12.0640 -12.0640 -12.0165 -12.0165 -0.7603 -0.7603 -0.5422 -0.5422 0.0678 0.0678 0.1577 0.1577 1.2386 1.2386 1.2861 1.2861 2.4861 2.4861 2.5756 2.5756 2.6001 2.6001 2.7095 2.7095 3.0858 3.0858 3.1107 3.1108 5.0156 5.0156 5.0275 5.0276 5.4785 5.4785 5.5004 5.5004 5.7279 5.7279 5.7662 5.7662 6.3972 6.3972 6.8775 6.8775 7.3422 7.3422 k = 0.0000 0.0000 0.7302 ( 2752 PWs) bands (ev): -12.9628 -12.9628 -12.6679 -12.6679 -12.0708 -12.0708 -12.0113 -12.0113 -0.7815 -0.7815 -0.5152 -0.5152 0.0711 0.0711 0.1889 0.1889 1.2337 1.2337 1.2925 1.2925 2.4784 2.4784 2.5746 2.5746 2.5943 2.5943 2.7077 2.7077 3.0928 3.0929 3.1293 3.1294 5.0132 5.0133 5.0281 5.0281 5.4700 5.4701 5.4967 5.4968 5.7166 5.7166 5.7650 5.7650 6.3358 6.3358 6.9302 6.9302 7.3325 7.3325 k = 0.0000 0.0000 0.7099 ( 2756 PWs) bands (ev): -12.9937 -12.9937 -12.6412 -12.6412 -12.0777 -12.0777 -12.0063 -12.0063 -0.8002 -0.8002 -0.4897 -0.4897 0.0766 0.0766 0.2256 0.2256 1.2289 1.2289 1.2990 1.2990 2.4713 2.4713 2.5531 2.5531 2.6098 2.6098 2.7020 2.7020 3.1008 3.1008 3.1513 3.1513 5.0107 5.0107 5.0284 5.0285 5.4605 5.4605 5.4914 5.4915 5.7038 5.7038 5.7628 5.7628 6.2749 6.2749 6.9791 6.9791 7.3225 7.3225 k = 0.0000 0.0000 0.6897 ( 2754 PWs) bands (ev): -13.0245 -13.0245 -12.6152 -12.6152 -12.0847 -12.0847 -12.0015 -12.0015 -0.8163 -0.8163 -0.4659 -0.4659 0.0842 0.0842 0.2680 0.2680 1.2245 1.2245 1.3054 1.3054 2.4647 2.4647 2.5307 2.5307 2.6273 2.6273 2.6930 2.6930 3.1094 3.1094 3.1762 3.1762 5.0079 5.0080 5.0285 5.0286 5.4499 5.4499 5.4846 5.4846 5.6898 5.6898 5.7596 5.7596 6.2147 6.2148 7.0234 7.0234 7.3122 7.3122 k = 0.0000 0.0000 0.6694 ( 2752 PWs) bands (ev): -13.0553 -13.0553 -12.5901 -12.5901 -12.0918 -12.0918 -11.9968 -11.9968 -0.8297 -0.8297 -0.4440 -0.4440 0.0935 0.0935 0.3160 0.3160 1.2204 1.2204 1.3118 1.3118 2.4584 2.4584 2.5086 2.5086 2.6458 2.6458 2.6812 2.6812 3.1184 3.1185 3.2035 3.2036 5.0050 5.0051 5.0284 5.0285 5.4383 5.4384 5.4761 5.4761 5.6746 5.6746 5.7555 5.7555 6.1555 6.1555 7.0619 7.0619 7.3016 7.3016 k = 0.0000 0.0000 0.6491 ( 2748 PWs) bands (ev): -13.0860 -13.0860 -12.5658 -12.5658 -12.0991 -12.0991 -11.9921 -11.9921 -0.8402 -0.8402 -0.4239 -0.4239 0.1045 0.1045 0.3694 0.3694 1.2166 1.2166 1.3182 1.3182 2.4519 2.4519 2.4877 2.4877 2.6607 2.6607 2.6714 2.6714 3.1278 3.1278 3.2328 3.2328 5.0019 5.0020 5.0281 5.0282 5.4259 5.4260 5.4659 5.4660 5.6583 5.6583 5.7505 5.7505 6.0974 6.0974 7.0937 7.0937 7.2908 7.2908 k = 0.0000 0.0000 0.6288 ( 2746 PWs) bands (ev): -13.1164 -13.1164 -12.5424 -12.5424 -12.1064 -12.1064 -11.9876 -11.9876 -0.8478 -0.8478 -0.4056 -0.4056 0.1171 0.1171 0.4279 0.4279 1.2132 1.2132 1.3244 1.3244 2.4437 2.4437 2.4694 2.4694 2.6474 2.6474 2.6886 2.6886 3.1374 3.1374 3.2634 3.2634 4.9986 4.9986 5.0276 5.0276 5.4127 5.4128 5.4541 5.4542 5.6412 5.6412 5.7445 5.7445 6.0408 6.0408 7.1182 7.1182 7.2799 7.2799 k = 0.0000 0.0000 0.6085 ( 2758 PWs) bands (ev): -13.1466 -13.1466 -12.5200 -12.5200 -12.1138 -12.1138 -11.9831 -11.9831 -0.8524 -0.8524 -0.3889 -0.3889 0.1310 0.1310 0.4912 0.4912 1.2100 1.2100 1.3305 1.3305 2.4310 2.4310 2.4569 2.4569 2.6283 2.6283 2.7107 2.7107 3.1471 3.1471 3.2950 3.2950 4.9950 4.9950 5.0268 5.0268 5.3987 5.3988 5.4406 5.4406 5.6232 5.6232 5.7374 5.7374 5.9858 5.9858 7.1351 7.1351 7.2688 7.2688 k = 0.0000 0.0000 0.5882 ( 2764 PWs) bands (ev): -13.1764 -13.1764 -12.4986 -12.4986 -12.1213 -12.1213 -11.9786 -11.9786 -0.8541 -0.8541 -0.3737 -0.3737 0.1462 0.1462 0.5589 0.5589 1.2072 1.2072 1.3365 1.3365 2.4138 2.4139 2.4499 2.4499 2.6070 2.6070 2.7343 2.7343 3.1569 3.1569 3.3272 3.3272 4.9911 4.9912 5.0258 5.0258 5.3840 5.3840 5.4254 5.4255 5.6049 5.6050 5.7291 5.7291 5.9332 5.9332 7.1445 7.1445 7.2576 7.2576 k = 0.0000 0.0000 0.5680 ( 2768 PWs) bands (ev): -13.2059 -13.2059 -12.4782 -12.4782 -12.1287 -12.1287 -11.9741 -11.9741 -0.8527 -0.8527 -0.3597 -0.3597 0.1625 0.1625 0.6306 0.6306 1.2047 1.2047 1.3422 1.3422 2.3954 2.3954 2.4455 2.4455 2.5839 2.5839 2.7591 2.7591 3.1667 3.1667 3.3597 3.3597 4.9871 4.9871 5.0245 5.0246 5.3686 5.3687 5.4086 5.4087 5.5865 5.5866 5.7188 5.7188 5.8838 5.8838 7.1468 7.1468 7.2464 7.2464 k = 0.0000 0.0000 0.5477 ( 2760 PWs) bands (ev): -13.2349 -13.2349 -12.4590 -12.4590 -12.1362 -12.1362 -11.9696 -11.9696 -0.8484 -0.8484 -0.3468 -0.3468 0.1799 0.1799 0.7058 0.7058 1.2026 1.2026 1.3478 1.3478 2.3771 2.3771 2.4423 2.4423 2.5592 2.5592 2.7851 2.7851 3.1765 3.1765 3.3921 3.3921 4.9828 4.9828 5.0232 5.0233 5.3528 5.3529 5.3902 5.3903 5.5683 5.5683 5.7054 5.7054 5.8392 5.8392 7.1431 7.1431 7.2350 7.2350 k = 0.0000 0.0000 0.5274 ( 2752 PWs) bands (ev): -13.2634 -13.2634 -12.4408 -12.4408 -12.1436 -12.1436 -11.9650 -11.9650 -0.8411 -0.8411 -0.3348 -0.3348 0.1981 0.1981 0.7842 0.7842 1.2008 1.2008 1.3532 1.3532 2.3594 2.3594 2.4397 2.4397 2.5329 2.5329 2.8123 2.8123 3.1862 3.1862 3.4241 3.4241 4.9781 4.9782 5.0217 5.0218 5.3365 5.3366 5.3702 5.3703 5.5505 5.5505 5.6866 5.6867 5.8016 5.8017 7.1340 7.1340 7.2235 7.2235 k = 0.0000 0.0000 0.5071 ( 2752 PWs) bands (ev): -13.2914 -13.2914 -12.4238 -12.4238 -12.1510 -12.1510 -11.9604 -11.9604 -0.8311 -0.8311 -0.3236 -0.3236 0.2172 0.2172 0.8652 0.8652 1.1993 1.1993 1.3583 1.3583 2.3426 2.3426 2.4377 2.4377 2.5052 2.5052 2.8407 2.8407 3.1958 3.1958 3.4553 3.4553 4.9730 4.9731 5.0201 5.0202 5.3197 5.3198 5.3487 5.3488 5.5334 5.5334 5.6605 5.6606 5.7735 5.7735 7.1203 7.1203 7.2119 7.2119 k = 0.0000 0.0000 0.4868 ( 2754 PWs) bands (ev): -13.3187 -13.3187 -12.4080 -12.4080 -12.1583 -12.1583 -11.9556 -11.9556 -0.8182 -0.8182 -0.3131 -0.3131 0.2368 0.2368 0.9485 0.9485 1.1981 1.1981 1.3632 1.3632 2.3267 2.3268 2.4358 2.4358 2.4764 2.4764 2.8701 2.8702 3.2054 3.2054 3.4856 3.4856 4.9675 4.9675 5.0185 5.0185 5.3026 5.3027 5.3257 5.3258 5.5174 5.5174 5.6280 5.6280 5.7543 5.7543 7.1026 7.1026 7.2005 7.2005 k = 0.0000 0.0000 0.4665 ( 2752 PWs) bands (ev): -13.3454 -13.3454 -12.3933 -12.3933 -12.1656 -12.1656 -11.9508 -11.9508 -0.8028 -0.8028 -0.3031 -0.3031 0.2571 0.2571 1.0336 1.0336 1.1972 1.1972 1.3679 1.3679 2.3120 2.3120 2.4328 2.4328 2.4479 2.4479 2.9007 2.9007 3.2147 3.2147 3.5145 3.5145 4.9613 4.9613 5.0170 5.0170 5.2850 5.2851 5.3012 5.3014 5.5026 5.5026 5.5920 5.5920 5.7415 5.7415 7.0813 7.0813 7.1892 7.1892 k = 0.0000 0.0000 0.4462 ( 2744 PWs) bands (ev): -13.3713 -13.3713 -12.3798 -12.3797 -12.1727 -12.1727 -11.9458 -11.9458 -0.7847 -0.7847 -0.2936 -0.2936 0.2778 0.2778 1.1200 1.1200 1.1964 1.1964 1.3723 1.3723 2.2984 2.2984 2.4119 2.4119 2.4364 2.4364 2.9322 2.9322 3.2240 3.2240 3.5418 3.5419 4.9543 4.9543 5.0155 5.0156 5.2663 5.2665 5.2764 5.2767 5.4893 5.4893 5.5556 5.5557 5.7325 5.7325 7.0571 7.0571 7.1783 7.1783 k = 0.0000 0.0000 0.4260 ( 2744 PWs) bands (ev): -13.3964 -13.3964 -12.3674 -12.3674 -12.1797 -12.1797 -11.9408 -11.9408 -0.7644 -0.7644 -0.2846 -0.2846 0.2988 0.2988 1.1959 1.1959 1.2073 1.2073 1.3764 1.3764 2.2861 2.2861 2.3800 2.3800 2.4351 2.4351 2.9648 2.9648 3.2330 3.2330 3.5673 3.5674 4.9464 4.9465 5.0144 5.0144 5.2433 5.2435 5.2546 5.2548 5.4771 5.4771 5.5212 5.5212 5.7259 5.7259 7.0300 7.0300 7.1676 7.1676 k = 0.0000 0.0000 0.4057 ( 2746 PWs) bands (ev): -13.4208 -13.4208 -12.3561 -12.3561 -12.1865 -12.1865 -11.9357 -11.9357 -0.7418 -0.7418 -0.2760 -0.2760 0.3199 0.3199 1.1958 1.1958 1.2947 1.2947 1.3803 1.3803 2.2753 2.2753 2.3465 2.3465 2.4346 2.4346 2.9981 2.9982 3.2417 3.2418 3.5908 3.5908 4.9375 4.9375 5.0135 5.0135 5.2156 5.2157 5.2363 5.2364 5.4634 5.4634 5.4926 5.4927 5.7210 5.7210 7.0004 7.0004 7.1573 7.1573 k = 0.0000 0.0000 0.3854 ( 2744 PWs) bands (ev): -13.4442 -13.4442 -12.3459 -12.3459 -12.1932 -12.1932 -11.9304 -11.9304 -0.7171 -0.7171 -0.2678 -0.2678 0.3411 0.3411 1.1958 1.1958 1.3817 1.3817 1.3842 1.3842 2.2661 2.2661 2.3121 2.3121 2.4345 2.4345 3.0323 3.0324 3.2503 3.2503 3.6120 3.6120 4.9273 4.9273 5.0129 5.0129 5.1857 5.1857 5.2192 5.2193 5.4421 5.4421 5.4771 5.4772 5.7177 5.7177 6.9685 6.9685 7.1475 7.1475 k = 0.0000 0.0000 0.3651 ( 2740 PWs) bands (ev): -13.4667 -13.4667 -12.3368 -12.3368 -12.1996 -12.1996 -11.9251 -11.9251 -0.6906 -0.6906 -0.2599 -0.2599 0.3622 0.3622 1.1961 1.1961 1.3874 1.3874 1.4682 1.4682 2.2582 2.2582 2.2773 2.2774 2.4347 2.4347 3.0672 3.0672 3.2585 3.2585 3.6308 3.6308 4.9157 4.9157 5.0128 5.0128 5.1544 5.1544 5.2025 5.2026 5.4164 5.4164 5.4722 5.4722 5.7157 5.7158 6.9345 6.9345 7.1381 7.1381 k = 0.0000 0.0000 0.3448 ( 2744 PWs) bands (ev): -13.4883 -13.4883 -12.3287 -12.3287 -12.2058 -12.2058 -11.9198 -11.9198 -0.6625 -0.6625 -0.2524 -0.2524 0.3831 0.3831 1.1964 1.1964 1.3905 1.3905 1.5527 1.5527 2.2389 2.2389 2.2558 2.2558 2.4351 2.4351 3.1027 3.1027 3.2664 3.2664 3.6471 3.6471 4.9026 4.9026 5.0131 5.0131 5.1220 5.1220 5.1864 5.1864 5.3917 5.3917 5.4727 5.4727 5.7152 5.7152 6.8985 6.8985 7.1292 7.1292 k = 0.0000 0.0000 0.3245 ( 2746 PWs) bands (ev): -13.5089 -13.5089 -12.3214 -12.3214 -12.2118 -12.2118 -11.9145 -11.9145 -0.6331 -0.6331 -0.2453 -0.2453 0.4037 0.4037 1.1969 1.1969 1.3934 1.3934 1.6344 1.6344 2.2033 2.2033 2.2528 2.2528 2.4356 2.4356 3.1386 3.1386 3.2739 3.2739 3.6610 3.6610 4.8881 4.8881 5.0137 5.0137 5.0888 5.0888 5.1707 5.1707 5.3696 5.3696 5.4776 5.4776 5.7161 5.7161 6.8606 6.8606 7.1207 7.1207 k = 0.0000 0.0000 0.3043 ( 2746 PWs) bands (ev): -13.5284 -13.5284 -12.3151 -12.3151 -12.2175 -12.2175 -11.9093 -11.9093 -0.6025 -0.6025 -0.2384 -0.2384 0.4238 0.4238 1.1976 1.1976 1.3961 1.3961 1.7120 1.7120 2.1667 2.1667 2.2542 2.2542 2.4362 2.4362 3.1747 3.1747 3.2811 3.2811 3.6723 3.6723 4.8723 4.8723 5.0143 5.0143 5.0552 5.0552 5.1556 5.1556 5.3505 5.3505 5.4865 5.4865 5.7185 5.7185 6.8211 6.8211 7.1128 7.1128 k = 0.0000 0.0000 0.2840 ( 2742 PWs) bands (ev): -13.5468 -13.5468 -12.3096 -12.3096 -12.2230 -12.2230 -11.9041 -11.9041 -0.5710 -0.5710 -0.2320 -0.2320 0.4432 0.4432 1.1983 1.1983 1.3986 1.3986 1.7840 1.7840 2.1300 2.1300 2.2604 2.2604 2.4370 2.4370 3.2108 3.2108 3.2880 3.2880 3.6814 3.6814 4.8553 4.8553 5.0119 5.0119 5.0243 5.0244 5.1411 5.1411 5.3344 5.3345 5.4996 5.4996 5.7226 5.7226 6.7799 6.7799 7.1054 7.1054 k = 0.0000 0.0000 0.2637 ( 2730 PWs) bands (ev): -13.5641 -13.5641 -12.3048 -12.3048 -12.2281 -12.2281 -11.8991 -11.8991 -0.5390 -0.5390 -0.2258 -0.2258 0.4619 0.4619 1.1991 1.1991 1.4008 1.4008 1.8483 1.8484 2.0936 2.0936 2.2727 2.2727 2.4379 2.4379 3.2463 3.2463 3.2949 3.2949 3.6882 3.6882 4.8374 4.8374 4.9840 4.9840 5.0188 5.0189 5.1273 5.1273 5.3213 5.3213 5.5167 5.5167 5.7285 5.7285 6.7373 6.7373 7.0985 7.0985 k = 0.0000 0.0000 0.2434 ( 2740 PWs) bands (ev): -13.5803 -13.5803 -12.3007 -12.3007 -12.2329 -12.2329 -11.8942 -11.8942 -0.5069 -0.5069 -0.2201 -0.2201 0.4797 0.4797 1.2000 1.2000 1.4028 1.4028 1.9030 1.9030 2.0577 2.0577 2.2925 2.2925 2.4388 2.4388 3.2789 3.2789 3.3038 3.3038 3.6931 3.6931 4.8189 4.8189 4.9497 4.9497 5.0196 5.0196 5.1142 5.1142 5.3107 5.3108 5.5376 5.5376 5.7361 5.7361 6.6933 6.6933 7.0921 7.0921 k = 0.0000 0.0000 0.2231 ( 2728 PWs) bands (ev): -13.5952 -13.5952 -12.2971 -12.2971 -12.2374 -12.2374 -11.8896 -11.8896 -0.4750 -0.4750 -0.2148 -0.2148 0.4965 0.4965 1.2009 1.2009 1.4047 1.4047 1.9463 1.9464 2.0231 2.0231 2.3208 2.3208 2.4398 2.4398 3.2976 3.2976 3.3256 3.3256 3.6962 3.6962 4.8003 4.8003 4.9155 4.9155 5.0207 5.0207 5.1019 5.1019 5.3026 5.3026 5.5625 5.5625 5.7458 5.7458 6.6481 6.6481 7.0862 7.0862 k = 0.0000 0.0000 0.2028 ( 2728 PWs) bands (ev): -13.6090 -13.6090 -12.2941 -12.2941 -12.2416 -12.2416 -11.8852 -11.8852 -0.4436 -0.4436 -0.2099 -0.2099 0.5121 0.5121 1.2018 1.2018 1.4063 1.4063 1.9738 1.9739 1.9943 1.9944 2.3568 2.3568 2.4409 2.4409 3.3044 3.3044 3.3577 3.3577 3.6978 3.6978 4.7819 4.7819 4.8818 4.8818 5.0217 5.0217 5.0904 5.0904 5.2964 5.2965 5.5908 5.5908 5.7574 5.7574 6.6020 6.6020 7.0808 7.0808 k = 0.0000 0.0000 0.1826 ( 2726 PWs) bands (ev): -13.6216 -13.6215 -12.2916 -12.2916 -12.2454 -12.2454 -11.8811 -11.8811 -0.4132 -0.4132 -0.2054 -0.2054 0.5265 0.5265 1.2026 1.2026 1.4078 1.4078 1.9533 1.9534 2.0054 2.0055 2.3983 2.3983 2.4423 2.4423 3.3086 3.3086 3.3905 3.3905 3.6983 3.6983 4.7640 4.7640 4.8492 4.8492 5.0225 5.0225 5.0798 5.0798 5.2920 5.2920 5.6223 5.6223 5.7709 5.7709 6.5549 6.5550 7.0759 7.0759 k = 0.0000 0.0000 0.1623 ( 2730 PWs) bands (ev): -13.6328 -13.6328 -12.2896 -12.2896 -12.2488 -12.2488 -11.8774 -11.8774 -0.3843 -0.3843 -0.2013 -0.2013 0.5395 0.5395 1.2035 1.2035 1.4090 1.4090 1.9235 1.9235 2.0204 2.0205 2.4361 2.4361 2.4503 2.4503 3.3116 3.3116 3.4223 3.4223 3.6979 3.6979 4.7468 4.7468 4.8181 4.8181 5.0231 5.0232 5.0701 5.0701 5.2889 5.2889 5.6565 5.6565 5.7861 5.7861 6.5072 6.5073 7.0709 7.0709 k = 0.0000 0.0000 0.1420 ( 2716 PWs) bands (ev): -13.6428 -13.6428 -12.2878 -12.2878 -12.2519 -12.2519 -11.8740 -11.8740 -0.3572 -0.3572 -0.1977 -0.1977 0.5512 0.5512 1.2043 1.2043 1.4101 1.4101 1.8954 1.8955 2.0308 2.0308 2.4418 2.4418 2.4906 2.4906 3.3138 3.3138 3.4522 3.4522 3.6968 3.6968 4.7306 4.7306 4.7894 4.7894 5.0236 5.0236 5.0615 5.0615 5.2869 5.2869 5.6931 5.6931 5.8029 5.8029 6.4594 6.4594 7.0261 7.0262 k = 0.0000 0.0000 0.1217 ( 2716 PWs) bands (ev): -13.6515 -13.6515 -12.2864 -12.2864 -12.2546 -12.2546 -11.8710 -11.8710 -0.3325 -0.3325 -0.1945 -0.1945 0.5613 0.5613 1.2050 1.2050 1.4111 1.4111 1.8699 1.8699 2.0378 2.0378 2.4430 2.4430 2.5331 2.5331 3.3153 3.3153 3.4798 3.4798 3.6954 3.6954 4.7155 4.7155 4.7631 4.7631 5.0240 5.0240 5.0539 5.0539 5.2856 5.2856 5.7312 5.7313 5.8207 5.8207 6.4117 6.4117 6.9683 6.9683 k = 0.0000 0.0000 0.1014 ( 2722 PWs) bands (ev): -13.6589 -13.6589 -12.2853 -12.2853 -12.2568 -12.2568 -11.8685 -11.8685 -0.3106 -0.3106 -0.1918 -0.1918 0.5699 0.5699 1.2056 1.2056 1.4119 1.4119 1.8475 1.8475 2.0424 2.0424 2.4438 2.4438 2.5720 2.5720 3.3162 3.3162 3.5043 3.5043 3.6938 3.6938 4.7015 4.7015 4.7404 4.7404 5.0241 5.0241 5.0472 5.0472 5.2849 5.2849 5.7701 5.7701 5.8389 5.8389 6.3649 6.3649 6.9151 6.9152 k = 0.0000 0.0000 0.0811 ( 2726 PWs) bands (ev): -13.6650 -13.6650 -12.2845 -12.2845 -12.2587 -12.2587 -11.8663 -11.8663 -0.2920 -0.2920 -0.1896 -0.1896 0.5770 0.5770 1.2061 1.2061 1.4125 1.4125 1.8285 1.8285 2.0455 2.0455 2.4445 2.4445 2.6057 2.6057 3.3166 3.3166 3.5254 3.5254 3.6923 3.6923 4.6886 4.6886 4.7219 4.7219 5.0242 5.0242 5.0418 5.0418 5.2846 5.2846 5.8084 5.8085 5.8567 5.8568 6.3199 6.3199 6.8682 6.8682 k = 0.0000 0.0000 0.0609 ( 2720 PWs) bands (ev): -13.6697 -13.6697 -12.2838 -12.2838 -12.2602 -12.2602 -11.8647 -11.8647 -0.2771 -0.2771 -0.1879 -0.1879 0.5825 0.5825 1.2066 1.2066 1.4130 1.4130 1.8133 1.8133 2.0475 2.0475 2.4449 2.4449 2.6330 2.6330 3.3168 3.3168 3.5425 3.5425 3.6910 3.6910 4.6771 4.6771 4.7082 4.7082 5.0242 5.0242 5.0377 5.0377 5.2845 5.2845 5.8440 5.8441 5.8736 5.8736 6.2784 6.2784 6.8293 6.8293 k = 0.0000 0.0000 0.0406 ( 2722 PWs) bands (ev): -13.6731 -13.6731 -12.2834 -12.2834 -12.2612 -12.2612 -11.8635 -11.8635 -0.2661 -0.2661 -0.1866 -0.1866 0.5864 0.5864 1.2069 1.2069 1.4133 1.4133 1.8023 1.8023 2.0487 2.0487 2.4453 2.4453 2.6531 2.6531 3.3167 3.3167 3.5550 3.5550 3.6899 3.6899 4.6678 4.6678 4.6989 4.6989 5.0242 5.0242 5.0348 5.0348 5.2844 5.2845 5.8717 5.8717 5.8905 5.8906 6.2429 6.2429 6.7998 6.7998 k = 0.0000 0.0000 0.0203 ( 2721 PWs) bands (ev): -13.6752 -13.6752 -12.2831 -12.2831 -12.2619 -12.2619 -11.8628 -11.8628 -0.2594 -0.2594 -0.1859 -0.1859 0.5887 0.5887 1.2071 1.2071 1.4136 1.4136 1.7956 1.7956 2.0494 2.0494 2.4455 2.4455 2.6654 2.6654 3.3165 3.3165 3.5627 3.5627 3.6893 3.6893 4.6617 4.6617 4.6937 4.6937 5.0241 5.0241 5.0330 5.0330 5.2845 5.2845 5.8856 5.8856 5.9078 5.9078 6.2179 6.2179 6.7815 6.7815 k = 0.0000 0.0000 0.0000 ( 2721 PWs) bands (ev): -13.6758 -13.6758 -12.2830 -12.2830 -12.2621 -12.2621 -11.8625 -11.8625 -0.2572 -0.2572 -0.1856 -0.1856 0.5895 0.5895 1.2071 1.2071 1.4136 1.4136 1.7933 1.7933 2.0496 2.0496 2.4455 2.4455 2.6696 2.6696 3.3165 3.3165 3.5653 3.5653 3.6891 3.6891 4.6596 4.6596 4.6919 4.6919 5.0241 5.0241 5.0324 5.0324 5.2845 5.2845 5.8895 5.8895 5.9153 5.9153 6.2086 6.2086 6.7752 6.7752 k = 0.0000 0.0000 0.0000 ( 2721 PWs) bands (ev): -13.6758 -13.6758 -12.2830 -12.2830 -12.2621 -12.2621 -11.8625 -11.8625 -0.2572 -0.2572 -0.1856 -0.1856 0.5895 0.5895 1.2071 1.2071 1.4136 1.4136 1.7933 1.7933 2.0496 2.0496 2.4455 2.4455 2.6696 2.6696 3.3165 3.3165 3.5653 3.5653 3.6891 3.6891 4.6596 4.6596 4.6919 4.6919 5.0241 5.0241 5.0324 5.0324 5.2845 5.2845 5.8895 5.8895 5.9153 5.9153 6.2086 6.2086 6.7752 6.7752 k =-0.0192 0.0047 0.0000 ( 2719 PWs) bands (ev): -13.6756 -13.6756 -12.2855 -12.2849 -12.2614 -12.2607 -11.8616 -11.8616 -0.2572 -0.2571 -0.1851 -0.1850 0.5901 0.5903 1.2068 1.2068 1.4144 1.4144 1.7927 1.7929 2.0484 2.0487 2.4447 2.4448 2.6701 2.6704 3.3159 3.3165 3.5655 3.5657 3.6851 3.6859 4.6600 4.6608 4.6924 4.6934 5.0242 5.0245 5.0324 5.0325 5.2847 5.2868 5.8820 5.8835 5.9209 5.9233 6.2089 6.2102 6.7751 6.7751 k =-0.0385 0.0095 0.0000 ( 2719 PWs) bands (ev): -13.6750 -13.6750 -12.2912 -12.2903 -12.2592 -12.2583 -11.8590 -11.8590 -0.2571 -0.2570 -0.1833 -0.1832 0.5920 0.5924 1.2056 1.2056 1.4168 1.4169 1.7910 1.7916 2.0452 2.0457 2.4423 2.4424 2.6722 2.6728 3.3148 3.3159 3.5661 3.5666 3.6741 3.6756 4.6618 4.6630 4.6948 4.6969 5.0246 5.0252 5.0324 5.0326 5.2875 5.2916 5.8695 5.8707 5.9334 5.9364 6.2111 6.2136 6.7748 6.7749 k =-0.0577 0.0142 0.0000 ( 2717 PWs) bands (ev): -13.6739 -13.6739 -12.2991 -12.2981 -12.2568 -12.2557 -11.8547 -11.8547 -0.2568 -0.2567 -0.1803 -0.1802 0.5952 0.5958 1.2037 1.2038 1.4208 1.4208 1.7883 1.7892 2.0399 2.0407 2.4383 2.4384 2.6757 2.6766 3.3131 3.3148 3.5673 3.5680 3.6566 3.6590 4.6643 4.6657 4.6992 4.7027 5.0255 5.0263 5.0325 5.0328 5.2928 5.2988 5.8559 5.8566 5.9474 5.9506 6.2151 6.2189 6.7744 6.7745 k =-0.0769 0.0190 0.0000 ( 2719 PWs) bands (ev): -13.6724 -13.6724 -12.3086 -12.3076 -12.2546 -12.2535 -11.8490 -11.8489 -0.2566 -0.2564 -0.1762 -0.1760 0.5998 0.6005 1.2012 1.2013 1.4261 1.4262 1.7848 1.7859 2.0327 2.0337 2.4328 2.4330 2.6806 2.6817 3.3106 3.3131 3.5685 3.5696 3.6336 3.6370 4.6668 4.6683 4.7058 4.7107 5.0266 5.0276 5.0330 5.0331 5.3005 5.3083 5.8420 5.8420 5.9620 5.9651 6.2211 6.2258 6.7738 6.7739 k =-0.0962 0.0237 0.0000 ( 2723 PWs) bands (ev): -13.6705 -13.6704 -12.3194 -12.3184 -12.2527 -12.2517 -11.8420 -11.8419 -0.2562 -0.2560 -0.1709 -0.1707 0.6055 0.6065 1.1982 1.1982 1.4328 1.4328 1.7804 1.7818 2.0235 2.0248 2.4258 2.4261 2.6867 2.6881 3.3074 3.3107 3.5689 3.5704 3.6069 3.6115 4.6689 4.6703 4.7141 4.7202 5.0279 5.0288 5.0338 5.0340 5.3107 5.3201 5.8274 5.8282 5.9768 5.9797 6.2290 6.2344 6.7729 6.7731 k =-0.1154 0.0284 0.0000 ( 2728 PWs) bands (ev): -13.6682 -13.6681 -12.3313 -12.3303 -12.2512 -12.2501 -11.8339 -11.8338 -0.2557 -0.2555 -0.1646 -0.1644 0.6123 0.6135 1.1948 1.1948 1.4406 1.4406 1.7753 1.7770 2.0127 2.0141 2.4175 2.4178 2.6941 2.6956 3.3032 3.3075 3.5618 3.5620 3.5861 3.5900 4.6707 4.6720 4.7234 4.7305 5.0290 5.0295 5.0350 5.0360 5.3231 5.3339 5.8128 5.8144 5.9920 5.9944 6.2386 6.2446 6.7719 6.7721 k =-0.1346 0.0332 0.0000 ( 2720 PWs) bands (ev): -13.6655 -13.6655 -12.3440 -12.3432 -12.2499 -12.2489 -11.8250 -11.8250 -0.2551 -0.2550 -0.1573 -0.1570 0.6203 0.6216 1.1911 1.1912 1.4494 1.4495 1.7696 1.7716 2.0002 2.0018 2.4079 2.4082 2.7025 2.7042 3.2980 3.3034 3.5321 3.5364 3.5841 3.5851 4.6723 4.6736 4.7331 4.7408 5.0297 5.0298 5.0373 5.0390 5.3378 5.3497 5.7984 5.8008 6.0073 6.0092 6.2500 6.2565 6.7707 6.7709 k =-0.1538 0.0379 0.0000 ( 2720 PWs) bands (ev): -13.6625 -13.6625 -12.3575 -12.3567 -12.2488 -12.2479 -11.8156 -11.8155 -0.2545 -0.2543 -0.1490 -0.1486 0.6291 0.6306 1.1872 1.1873 1.4591 1.4592 1.7634 1.7656 1.9863 1.9881 2.3972 2.3975 2.7118 2.7137 3.2912 3.2980 3.4962 3.5028 3.5869 3.5869 4.6736 4.6749 4.7423 4.7504 5.0299 5.0301 5.0401 5.0425 5.3543 5.3669 5.7842 5.7874 6.0226 6.0239 6.2632 6.2698 6.7692 6.7694 k =-0.1731 0.0426 0.0000 ( 2724 PWs) bands (ev): -13.6593 -13.6593 -12.3715 -12.3707 -12.2479 -12.2471 -11.8057 -11.8056 -0.2538 -0.2537 -0.1398 -0.1394 0.6387 0.6404 1.1832 1.1833 1.4696 1.4696 1.7567 1.7593 1.9712 1.9731 2.3855 2.3858 2.7220 2.7239 3.2823 3.2907 3.4592 3.4680 3.5903 3.5907 4.6748 4.6762 4.7507 4.7589 5.0300 5.0302 5.0434 5.0463 5.3723 5.3853 5.7703 5.7743 6.0380 6.0385 6.2781 6.2846 6.7675 6.7676 k =-0.1923 0.0474 0.0000 ( 2722 PWs) bands (ev): -13.6558 -13.6558 -12.3857 -12.3850 -12.2472 -12.2464 -11.7957 -11.7956 -0.2531 -0.2529 -0.1298 -0.1293 0.6490 0.6509 1.1792 1.1794 1.4807 1.4807 1.7499 1.7528 1.9551 1.9571 2.3728 2.3732 2.7327 2.7347 3.2705 3.2808 3.4233 3.4343 3.5943 3.5949 4.6760 4.6774 4.7580 4.7662 5.0299 5.0303 5.0469 5.0502 5.3914 5.4044 5.7568 5.7616 6.0530 6.0532 6.2946 6.3009 6.7654 6.7655 k =-0.2115 0.0521 0.0000 ( 2730 PWs) bands (ev): -13.6521 -13.6520 -12.4001 -12.3994 -12.2466 -12.2459 -11.7856 -11.7855 -0.2523 -0.2521 -0.1192 -0.1187 0.6598 0.6618 1.1753 1.1754 1.4922 1.4923 1.7430 1.7461 1.9381 1.9403 2.3595 2.3599 2.7439 2.7459 3.2546 3.2665 3.3909 3.4037 3.5986 3.5993 4.6771 4.6785 4.7642 4.7721 5.0299 5.0303 5.0506 5.0542 5.4114 5.4240 5.7436 5.7493 6.0672 6.0682 6.3126 6.3186 6.7630 6.7631 k =-0.2308 0.0569 0.0000 ( 2728 PWs) bands (ev): -13.6482 -13.6482 -12.4144 -12.4138 -12.2460 -12.2454 -11.7756 -11.7755 -0.2515 -0.2514 -0.1079 -0.1074 0.6709 0.6730 1.1715 1.1716 1.5042 1.5042 1.7361 1.7395 1.9206 1.9230 2.3456 2.3460 2.7553 2.7574 3.2336 3.2462 3.3643 3.3780 3.6030 3.6038 4.6782 4.6796 4.7693 4.7768 5.0298 5.0303 5.0544 5.0583 5.4317 5.4437 5.7310 5.7374 6.0811 6.0828 6.3321 6.3377 6.7602 6.7603 k =-0.2500 0.0616 0.0000 ( 2734 PWs) bands (ev): -13.6442 -13.6442 -12.4286 -12.4280 -12.2456 -12.2450 -11.7659 -11.7658 -0.2507 -0.2505 -0.0963 -0.0957 0.6822 0.6844 1.1678 1.1679 1.5163 1.5163 1.7293 1.7330 1.9028 1.9053 2.3313 2.3317 2.7668 2.7689 3.2076 3.2195 3.3444 3.3576 3.6075 3.6083 4.6793 4.6807 4.7733 4.7804 5.0298 5.0303 5.0582 5.0622 5.4520 5.4629 5.7188 5.7260 6.0945 6.0968 6.3529 6.3579 6.7570 6.7570 k =-0.2692 0.0663 0.0000 ( 2738 PWs) bands (ev): -13.6402 -13.6402 -12.4423 -12.4418 -12.2452 -12.2447 -11.7565 -11.7564 -0.2499 -0.2497 -0.0844 -0.0838 0.6934 0.6957 1.1643 1.1644 1.5286 1.5286 1.7228 1.7268 1.8849 1.8877 2.3168 2.3172 2.7782 2.7803 3.1778 3.1882 3.3303 3.3421 3.6119 3.6128 4.6803 4.6817 4.7764 4.7830 5.0298 5.0302 5.0618 5.0658 5.4719 5.4815 5.7072 5.7152 6.1073 6.1101 6.3750 6.3794 6.7532 6.7533 k =-0.2885 0.0711 0.0000 ( 2738 PWs) bands (ev): -13.6362 -13.6362 -12.4556 -12.4551 -12.2449 -12.2444 -11.7475 -11.7475 -0.2491 -0.2489 -0.0724 -0.0717 0.7045 0.7068 1.1610 1.1611 1.5409 1.5409 1.7167 1.7210 1.8673 1.8702 2.3022 2.3026 2.7893 2.7914 3.1460 3.1546 3.3199 3.3301 3.6163 3.6171 4.6814 4.6827 4.7787 4.7847 5.0297 5.0302 5.0653 5.0692 5.4910 5.4991 5.6962 5.7050 6.1195 6.1226 6.3980 6.4018 6.7489 6.7491 k =-0.3077 0.0758 0.0000 ( 2738 PWs) bands (ev): -13.6322 -13.6322 -12.4682 -12.4678 -12.2446 -12.2442 -11.7391 -11.7391 -0.2483 -0.2481 -0.0604 -0.0597 0.7151 0.7175 1.1580 1.1581 1.5530 1.5530 1.7110 1.7156 1.8500 1.8532 2.2879 2.2882 2.7998 2.8019 3.1138 3.1207 3.3119 3.3205 3.6204 3.6213 4.6824 4.6837 4.7803 4.7857 5.0297 5.0301 5.0686 5.0723 5.5093 5.5156 5.6858 5.6954 6.1308 6.1342 6.4217 6.4249 6.7440 6.7443 k =-0.3269 0.0806 0.0000 ( 2738 PWs) bands (ev): -13.6284 -13.6284 -12.4800 -12.4797 -12.2444 -12.2440 -11.7313 -11.7313 -0.2475 -0.2474 -0.0487 -0.0480 0.7252 0.7275 1.1552 1.1553 1.5648 1.5648 1.7060 1.7109 1.8335 1.8369 2.2738 2.2742 2.8095 2.8116 3.0825 3.0881 3.3052 3.3125 3.6243 3.6252 4.6834 4.6845 4.7814 4.7862 5.0297 5.0301 5.0716 5.0751 5.5264 5.5308 5.6760 5.6864 6.1413 6.1448 6.4460 6.4485 6.7383 6.7387 k =-0.3462 0.0853 0.0000 ( 2734 PWs) bands (ev): -13.6248 -13.6248 -12.4910 -12.4907 -12.2441 -12.2438 -11.7242 -11.7242 -0.2467 -0.2467 -0.0374 -0.0368 0.7346 0.7369 1.1527 1.1527 1.5761 1.5761 1.7017 1.7067 1.8179 1.8215 2.2604 2.2607 2.8181 2.8202 3.0533 3.0577 3.2996 3.3058 3.6280 3.6288 4.6843 4.6854 4.7821 4.7863 5.0297 5.0300 5.0744 5.0776 5.5423 5.5446 5.6670 5.6781 6.1509 6.1544 6.4704 6.4724 6.7319 6.7324 k =-0.3654 0.0900 0.0000 ( 2738 PWs) bands (ev): -13.6214 -13.6214 -12.5009 -12.5006 -12.2439 -12.2437 -11.7178 -11.7177 -0.2461 -0.2460 -0.0268 -0.0262 0.7431 0.7453 1.1504 1.1505 1.5867 1.5867 1.6981 1.7032 1.8034 1.8071 2.2478 2.2481 2.8254 2.8274 3.0269 3.0303 3.2947 3.2998 3.6313 3.6320 4.6851 4.6861 4.7824 4.7862 5.0296 5.0300 5.0768 5.0797 5.5569 5.5571 5.6586 5.6703 6.1594 6.1628 6.4947 6.4963 6.7246 6.7252 k =-0.3846 0.0948 0.0000 ( 2738 PWs) bands (ev): -13.6184 -13.6184 -12.5098 -12.5095 -12.2438 -12.2435 -11.7121 -11.7121 -0.2455 -0.2454 -0.0170 -0.0165 0.7507 0.7527 1.1484 1.1485 1.5964 1.5965 1.6953 1.7004 1.7903 1.7941 2.2362 2.2365 2.8310 2.8329 3.0041 3.0066 3.2904 3.2947 3.6343 3.6349 4.6858 4.6867 4.7826 4.7858 5.0296 5.0299 5.0790 5.0815 5.5682 5.5701 5.6508 5.6632 6.1670 6.1700 6.5187 6.5197 6.7164 6.7171 k =-0.4038 0.0995 0.0000 ( 2734 PWs) bands (ev): -13.6157 -13.6157 -12.5174 -12.5172 -12.2437 -12.2435 -11.7073 -11.7073 -0.2450 -0.2449 -0.0083 -0.0078 0.7573 0.7590 1.1468 1.1469 1.6052 1.6052 1.6932 1.6982 1.7788 1.7825 2.2259 2.2261 2.8347 2.8366 2.9854 2.9872 3.2868 3.2903 3.6369 3.6374 4.6865 4.6873 4.7827 4.7853 5.0295 5.0298 5.0809 5.0830 5.5780 5.5821 5.6436 5.6565 6.1735 6.1762 6.5419 6.5426 6.7072 6.7079 k =-0.4231 0.1042 0.0000 ( 2734 PWs) bands (ev): -13.6134 -13.6134 -12.5237 -12.5236 -12.2435 -12.2434 -11.7033 -11.7033 -0.2445 -0.2445 -0.0009 -0.0005 0.7627 0.7642 1.1454 1.1455 1.6126 1.6126 1.6920 1.6966 1.7690 1.7725 2.2171 2.2173 2.8366 2.8383 2.9709 2.9722 3.2838 3.2865 3.6390 3.6395 4.6871 4.6877 4.7828 4.7848 5.0296 5.0298 5.0825 5.0842 5.5866 5.5928 5.6370 5.6502 6.1788 6.1811 6.5643 6.5646 6.6969 6.6976 k =-0.4423 0.1090 0.0000 ( 2730 PWs) bands (ev): -13.6116 -13.6116 -12.5288 -12.5286 -12.2435 -12.2433 -11.7002 -11.7002 -0.2441 -0.2441 0.0051 0.0054 0.7671 0.7682 1.1444 1.1444 1.6187 1.6187 1.6915 1.6954 1.7612 1.7643 2.2100 2.2101 2.8370 2.8383 2.9607 2.9615 3.2815 3.2835 3.6407 3.6411 4.6876 4.6881 4.7828 4.7843 5.0296 5.0297 5.0838 5.0851 5.5942 5.6022 5.6309 5.6443 6.1831 6.1849 6.5855 6.5855 6.6854 6.6861 k =-0.4615 0.1137 0.0000 ( 2728 PWs) bands (ev): -13.6103 -13.6103 -12.5324 -12.5323 -12.2434 -12.2433 -11.6979 -11.6979 -0.2439 -0.2439 0.0095 0.0097 0.7702 0.7710 1.1436 1.1436 1.6231 1.6231 1.6915 1.6944 1.7557 1.7580 2.2048 2.2049 2.8365 2.8374 2.9541 2.9546 3.2799 3.2812 3.6420 3.6422 4.6880 4.6883 4.7828 4.7839 5.0296 5.0297 5.0847 5.0856 5.6009 5.6103 5.6254 5.6384 6.1863 6.1874 6.6050 6.6053 6.6727 6.6734 k =-0.4808 0.1185 0.0000 ( 2714 PWs) bands (ev): -13.6095 -13.6095 -12.5345 -12.5345 -12.2433 -12.2433 -11.6966 -11.6965 -0.2437 -0.2437 0.0123 0.0124 0.7722 0.7726 1.1432 1.1432 1.6259 1.6259 1.6920 1.6936 1.7526 1.7538 2.2016 2.2017 2.8359 2.8364 2.9506 2.9508 3.2791 3.2798 3.6428 3.6429 4.6883 4.6884 4.7830 4.7835 5.0296 5.0297 5.0854 5.0859 5.6071 5.6155 5.6223 5.6326 6.1883 6.1889 6.6228 6.6232 6.6593 6.6599 k =-0.5000 0.1232 0.0000 ( 2712 PWs) bands (ev): -13.6092 -13.6092 -12.5352 -12.5352 -12.2433 -12.2433 -11.6961 -11.6961 -0.2436 -0.2436 0.0132 0.0132 0.7730 0.7730 1.1431 1.1431 1.6268 1.6268 1.6928 1.6928 1.7520 1.7520 2.2006 2.2006 2.8358 2.8358 2.9496 2.9496 3.2791 3.2791 3.6431 3.6431 4.6884 4.6884 4.7832 4.7832 5.0296 5.0296 5.0858 5.0858 5.6126 5.6126 5.6266 5.6266 6.1893 6.1893 6.6342 6.6342 6.6498 6.6498 k =-0.5000 0.1232 0.0000 ( 2712 PWs) bands (ev): -13.6092 -13.6092 -12.5352 -12.5352 -12.2433 -12.2433 -11.6961 -11.6961 -0.2436 -0.2436 0.0132 0.0132 0.7730 0.7730 1.1431 1.1431 1.6268 1.6268 1.6928 1.6928 1.7520 1.7520 2.2006 2.2006 2.8358 2.8358 2.9496 2.9496 3.2791 3.2791 3.6431 3.6431 4.6884 4.6884 4.7832 4.7832 5.0296 5.0296 5.0858 5.0858 5.6126 5.6126 5.6266 5.6266 6.1893 6.1893 6.6342 6.6342 6.6498 6.6498 k =-0.4951 0.1431-0.0000 ( 2708 PWs) bands (ev): -13.6087 -13.6086 -12.5349 -12.5349 -12.2433 -12.2433 -11.6960 -11.6960 -0.2431 -0.2430 0.0135 0.0136 0.7732 0.7733 1.1339 1.1340 1.6196 1.6209 1.6983 1.7001 1.7563 1.7564 2.2028 2.2032 2.8357 2.8360 2.9489 2.9495 3.2792 3.2792 3.6388 3.6394 4.6875 4.6876 4.7846 4.7852 5.0289 5.0306 5.0889 5.0889 5.6118 5.6131 5.6254 5.6275 6.1888 6.1888 6.6331 6.6332 6.6440 6.6440 k =-0.4902 0.1629-0.0000 ( 2712 PWs) bands (ev): -13.6071 -13.6070 -12.5338 -12.5338 -12.2435 -12.2434 -11.6956 -11.6956 -0.2414 -0.2413 0.0143 0.0145 0.7738 0.7741 1.1077 1.1081 1.6040 1.6059 1.7127 1.7155 1.7677 1.7678 2.2105 2.2113 2.8357 2.8362 2.9473 2.9485 3.2798 3.2798 3.6267 3.6279 4.6848 4.6849 4.7892 4.7904 5.0281 5.0316 5.0979 5.0980 5.6108 5.6134 5.6239 5.6279 6.1874 6.1874 6.6236 6.6245 6.6330 6.6336 k =-0.4853 0.1828-0.0000 ( 2710 PWs) bands (ev): -13.6044 -13.6044 -12.5321 -12.5321 -12.2436 -12.2435 -11.6950 -11.6949 -0.2386 -0.2385 0.0156 0.0159 0.7749 0.7754 1.0679 1.0684 1.5852 1.5871 1.7307 1.7340 1.7818 1.7820 2.2248 2.2260 2.8353 2.8360 2.9453 2.9469 3.2806 3.2807 3.6071 3.6089 4.6810 4.6811 4.7968 4.7987 5.0274 5.0326 5.1121 5.1122 5.6094 5.6137 5.6222 5.6279 6.1851 6.1853 6.5970 6.5983 6.6288 6.6294 k =-0.4804 0.2026-0.0000 ( 2718 PWs) bands (ev): -13.6007 -13.6006 -12.5297 -12.5297 -12.2439 -12.2436 -11.6941 -11.6940 -0.2347 -0.2345 0.0173 0.0176 0.7764 0.7770 1.0181 1.0186 1.5648 1.5667 1.7501 1.7538 1.7939 1.7941 2.2473 2.2489 2.8342 2.8349 2.9432 2.9453 3.2818 3.2819 3.5804 3.5826 4.6765 4.6767 4.8072 4.8098 5.0268 5.0336 5.1304 5.1306 5.6076 5.6137 5.6203 5.6274 6.1818 6.1822 6.5626 6.5645 6.6240 6.6247 k =-0.4755 0.2225-0.0000 ( 2716 PWs) bands (ev): -13.5960 -13.5959 -12.5266 -12.5265 -12.2442 -12.2439 -11.6929 -11.6928 -0.2297 -0.2294 0.0190 0.0195 0.7783 0.7791 0.9614 0.9621 1.5437 1.5455 1.7700 1.7741 1.8001 1.8005 2.2791 2.2809 2.8315 2.8322 2.9419 2.9442 3.2834 3.2834 3.5471 3.5497 4.6724 4.6725 4.8200 4.8234 5.0264 5.0347 5.1517 5.1521 5.6052 5.6138 5.6186 5.6263 6.1774 6.1782 6.5236 6.5263 6.6180 6.6187 k =-0.4706 0.2423-0.0000 ( 2720 PWs) bands (ev): -13.5902 -13.5900 -12.5228 -12.5228 -12.2445 -12.2442 -11.6916 -11.6914 -0.2235 -0.2232 0.0205 0.0211 0.7806 0.7816 0.9004 0.9011 1.5221 1.5237 1.7892 1.7943 1.7992 1.8005 2.3199 2.3218 2.8266 2.8270 2.9420 2.9443 3.2853 3.2854 3.5079 3.5109 4.6687 4.6688 4.8348 4.8390 5.0263 5.0360 5.1749 5.1754 5.6020 5.6138 5.6171 5.6246 6.1719 6.1733 6.4820 6.4858 6.6107 6.6116 k =-0.4658 0.2622-0.0000 ( 2712 PWs) bands (ev): -13.5834 -13.5832 -12.5184 -12.5184 -12.2449 -12.2445 -11.6899 -11.6898 -0.2162 -0.2158 0.0214 0.0221 0.7832 0.7843 0.8371 0.8379 1.5001 1.5016 1.7885 1.7891 1.8130 1.8162 2.3686 2.3706 2.8186 2.8188 2.9440 2.9462 3.2875 3.2877 3.4637 3.4668 4.6660 4.6663 4.8510 4.8561 5.0265 5.0374 5.1991 5.1997 5.5980 5.6139 5.6162 5.6223 6.1650 6.1674 6.4396 6.4449 6.6023 6.6032 k =-0.4609 0.2820-0.0000 ( 2716 PWs) bands (ev): -13.5755 -13.5753 -12.5134 -12.5133 -12.2454 -12.2449 -11.6881 -11.6879 -0.2078 -0.2074 0.0210 0.0218 0.7730 0.7738 0.7862 0.7874 1.4778 1.4792 1.7732 1.7732 1.8336 1.8375 2.4235 2.4255 2.8068 2.8077 2.9479 2.9498 3.2898 3.2902 3.4153 3.4184 4.6643 4.6649 4.8680 4.8741 5.0271 5.0390 5.2232 5.2241 5.5930 5.6141 5.6157 5.6193 6.1566 6.1604 6.3979 6.4049 6.5927 6.5936 k =-0.4560 0.3019-0.0000 ( 2716 PWs) bands (ev): -13.5667 -13.5664 -12.5078 -12.5077 -12.2459 -12.2454 -11.6860 -11.6857 -0.1983 -0.1978 0.0185 0.0194 0.7098 0.7106 0.7892 0.7906 1.4553 1.4566 1.7519 1.7522 1.8549 1.8590 2.4826 2.4846 2.7917 2.7934 2.9535 2.9549 3.2919 3.2931 3.3642 3.3667 4.6641 4.6649 4.8851 4.8923 5.0286 5.0412 5.2467 5.2478 5.5870 5.6135 5.6159 5.6164 6.1466 6.1522 6.3580 6.3671 6.5821 6.5829 k =-0.4511 0.3217-0.0000 ( 2712 PWs) bands (ev): -13.5568 -13.5566 -12.5016 -12.5016 -12.2464 -12.2459 -11.6836 -11.6834 -0.1877 -0.1872 0.0129 0.0139 0.6489 0.6498 0.7924 0.7940 1.4326 1.4338 1.7267 1.7272 1.8765 1.8808 2.5445 2.5464 2.7735 2.7761 2.9600 2.9608 3.2892 3.2962 3.3127 3.3160 4.6650 4.6662 4.9015 4.9101 5.0310 5.0441 5.2688 5.2703 5.5802 5.6095 5.6165 5.6168 6.1348 6.1427 6.3212 6.3328 6.5704 6.5712 k =-0.4462 0.3416-0.0000 ( 2724 PWs) bands (ev): -13.5460 -13.5457 -12.4950 -12.4949 -12.2470 -12.2464 -11.6811 -11.6808 -0.1760 -0.1755 0.0028 0.0039 0.5919 0.5928 0.7957 0.7974 1.4097 1.4107 1.6988 1.6994 1.8985 1.9029 2.6076 2.6094 2.7525 2.7560 2.9663 2.9663 3.2499 3.2574 3.3000 3.3039 4.6672 4.6687 4.9164 4.9265 5.0347 5.0480 5.2889 5.2909 5.5726 5.6039 5.6178 5.6185 6.1212 6.1317 6.2882 6.3025 6.5577 6.5585 k =-0.4413 0.3615-0.0000 ( 2726 PWs) bands (ev): -13.5343 -13.5340 -12.4878 -12.4878 -12.2476 -12.2469 -11.6783 -11.6780 -0.1632 -0.1627 -0.0132 -0.0120 0.5406 0.5415 0.7989 0.8008 1.3865 1.3875 1.6692 1.6700 1.9208 1.9253 2.6709 2.6722 2.7295 2.7335 2.9694 2.9706 3.1983 3.2037 3.3037 3.3062 4.6706 4.6726 4.9292 4.9408 5.0398 5.0530 5.3068 5.3093 5.5643 5.5973 5.6199 5.6210 6.1061 6.1194 6.2597 6.2767 6.5444 6.5451 k =-0.4364 0.3813-0.0000 ( 2726 PWs) bands (ev): -13.5216 -13.5212 -12.4803 -12.4803 -12.2482 -12.2475 -11.6754 -11.6750 -0.1494 -0.1491 -0.0367 -0.0352 0.4963 0.4972 0.8021 0.8041 1.3631 1.3639 1.6390 1.6400 1.9434 1.9481 2.7005 2.7069 2.7352 2.7378 2.9660 2.9692 3.1516 3.1554 3.3077 3.3099 4.6751 4.6775 4.9395 4.9525 5.0465 5.0597 5.3220 5.3252 5.5555 5.5899 5.6228 5.6246 6.0900 6.1059 6.2361 6.2553 6.5304 6.5309 k =-0.4315 0.4012-0.0000 ( 2718 PWs) bands (ev): -13.5080 -13.5076 -12.4725 -12.4725 -12.2488 -12.2480 -11.6722 -11.6719 -0.1348 -0.1347 -0.0684 -0.0663 0.4603 0.4612 0.8051 0.8072 1.3393 1.3400 1.6091 1.6102 1.9664 1.9712 2.6735 2.6806 2.7956 2.7977 2.9498 2.9557 3.1177 3.1191 3.3121 3.3141 4.6806 4.6834 4.9474 4.9614 5.0544 5.0677 5.3344 5.3382 5.5466 5.5822 5.6263 5.6291 6.0738 6.0918 6.2171 6.2380 6.5158 6.5163 k =-0.4266 0.4210-0.0000 ( 2710 PWs) bands (ev): -13.4935 -13.4931 -12.4644 -12.4644 -12.2493 -12.2485 -11.6688 -11.6685 -0.1248 -0.1214 -0.1064 -0.1009 0.4326 0.4334 0.8078 0.8101 1.3151 1.3158 1.5802 1.5814 1.9899 1.9946 2.6434 2.6516 2.8536 2.8561 2.9168 2.9250 3.1006 3.1014 3.3167 3.3188 4.6871 4.6904 4.9531 4.9676 5.0629 5.0767 5.3438 5.3486 5.5379 5.5744 5.6306 5.6344 6.0583 6.0777 6.2024 6.2241 6.5008 6.5012 k =-0.4217 0.4409-0.0000 ( 2718 PWs) bands (ev): -13.4782 -13.4778 -12.4561 -12.4561 -12.2498 -12.2489 -11.6653 -11.6650 -0.1599 -0.1592 -0.1003 -0.0975 0.4124 0.4132 0.8101 0.8125 1.2904 1.2910 1.5531 1.5544 2.0137 2.0185 2.6112 2.6207 2.8657 2.8775 2.9133 2.9139 3.0972 3.0991 3.3215 3.3237 4.6942 4.6979 4.9574 4.9716 5.0712 5.0859 5.3504 5.3560 5.5297 5.5668 5.6353 5.6403 6.0438 6.0640 6.1914 6.2132 6.4854 6.4858 k =-0.4168 0.4607-0.0000 ( 2722 PWs) bands (ev): -13.4620 -13.4616 -12.4478 -12.4478 -12.2501 -12.2492 -11.6617 -11.6613 -0.2143 -0.2143 -0.0826 -0.0804 0.3983 0.3990 0.8120 0.8145 1.2651 1.2657 1.5284 1.5298 2.0379 2.0427 2.5772 2.5880 2.8131 2.8257 2.9640 2.9649 3.1022 3.1045 3.3266 3.3289 4.7020 4.7062 4.9609 4.9744 5.0789 5.0949 5.3542 5.3609 5.5226 5.5599 5.6403 5.6467 6.0309 6.0511 6.1839 6.2049 6.4698 6.4702 k =-0.4119 0.4806-0.0000 ( 2722 PWs) bands (ev): -13.4451 -13.4446 -12.4396 -12.4395 -12.2502 -12.2492 -11.6578 -11.6574 -0.2750 -0.2747 -0.0635 -0.0615 0.3886 0.3894 0.8133 0.8159 1.2390 1.2396 1.5067 1.5083 2.0625 2.0673 2.5416 2.5539 2.7568 2.7705 3.0114 3.0123 3.1111 3.1136 3.3320 3.3345 4.7104 4.7151 4.9645 4.9766 5.0854 5.1031 5.3556 5.3635 5.5168 5.5541 5.6454 5.6533 6.0193 6.0390 6.1795 6.1991 6.4541 6.4546 k =-0.4070 0.5004-0.0000 ( 2718 PWs) bands (ev): -13.4273 -13.4268 -12.4315 -12.4315 -12.2499 -12.2489 -11.6539 -11.6535 -0.3395 -0.3392 -0.0435 -0.0414 0.3819 0.3827 0.8140 0.8167 1.2122 1.2127 1.4886 1.4902 2.0876 2.0923 2.5044 2.5182 2.7001 2.7148 3.0537 3.0545 3.1220 3.1247 3.3378 3.3405 4.7194 4.7245 4.9687 4.9790 5.0906 5.1103 5.3549 5.3642 5.5126 5.5495 5.6503 5.6597 6.0090 6.0275 6.1783 6.1959 6.4385 6.4391 k =-0.4022 0.5203-0.0000 ( 2718 PWs) bands (ev): -13.4089 -13.4084 -12.4239 -12.4238 -12.2493 -12.2482 -11.6498 -11.6494 -0.4067 -0.4063 -0.0224 -0.0202 0.3768 0.3776 0.8139 0.8168 1.1843 1.1848 1.4745 1.4763 2.1130 2.1175 2.4661 2.4815 2.6444 2.6601 3.0902 3.0909 3.1338 3.1366 3.3441 3.3470 4.7288 4.7344 4.9742 4.9823 5.0945 5.1162 5.3523 5.3632 5.5101 5.5462 5.6547 5.6657 5.9995 6.0162 6.1803 6.1953 6.4228 6.4237 k =-0.3973 0.5401-0.0000 ( 2718 PWs) bands (ev): -13.3897 -13.3892 -12.4167 -12.4167 -12.2481 -12.2470 -11.6456 -11.6451 -0.4756 -0.4752 -0.0004 0.0020 0.3723 0.3732 0.8131 0.8161 1.1553 1.1558 1.4648 1.4667 2.1386 2.1429 2.4269 2.4437 2.5905 2.6071 3.1201 3.1208 3.1459 3.1490 3.3508 3.3539 4.7386 4.7446 4.9814 4.9870 5.0971 5.1211 5.3483 5.3608 5.5093 5.5445 5.6583 5.6710 5.9903 6.0048 6.1855 6.1975 6.4071 6.4085 k =-0.3924 0.5600-0.0000 ( 2714 PWs) bands (ev): -13.3699 -13.3693 -12.4104 -12.4104 -12.2462 -12.2451 -11.6413 -11.6409 -0.5455 -0.5451 0.0226 0.0252 0.3678 0.3688 0.8115 0.8145 1.1250 1.1255 1.4597 1.4617 2.1644 2.1683 2.3872 2.4055 2.5389 2.5562 3.1431 3.1438 3.1581 3.1616 3.3581 3.3614 4.7487 4.7550 4.9908 4.9937 5.0988 5.1249 5.3432 5.3574 5.5102 5.5444 5.6609 5.6755 5.9811 5.9930 6.1939 6.2027 6.3915 6.3935 k =-0.3875 0.5799-0.0000 ( 2706 PWs) bands (ev): -13.3495 -13.3489 -12.4050 -12.4050 -12.2435 -12.2424 -11.6369 -11.6365 -0.6158 -0.6153 0.0464 0.0493 0.3627 0.3640 0.8089 0.8120 1.0933 1.0939 1.4594 1.4615 2.1900 2.1931 2.3478 2.3674 2.4900 2.5076 3.1592 3.1598 3.1700 3.1739 3.3659 3.3693 4.7592 4.7657 5.0026 5.0027 5.0996 5.1278 5.3372 5.3530 5.5127 5.5457 5.6624 5.6790 5.9716 5.9809 6.2053 6.2110 6.3761 6.3788 k =-0.3826 0.5997-0.0000 ( 2712 PWs) bands (ev): -13.3285 -13.3278 -12.4007 -12.4007 -12.2398 -12.2387 -11.6325 -11.6320 -0.6860 -0.6855 0.0710 0.0743 0.3568 0.3584 0.8054 0.8085 1.0602 1.0607 1.4638 1.4661 2.2140 2.2159 2.3100 2.3309 2.4441 2.4616 3.1685 3.1686 3.1818 3.1856 3.3739 3.3774 4.7698 4.7765 5.0136 5.0171 5.0997 5.1299 5.3305 5.3480 5.5167 5.5485 5.6625 5.6812 5.9615 5.9683 6.2196 6.2222 6.3608 6.3644 k =-0.3777 0.6196-0.0000 ( 2708 PWs) bands (ev): -13.3069 -13.3062 -12.3978 -12.3978 -12.2352 -12.2341 -11.6280 -11.6276 -0.7557 -0.7552 0.0963 0.1001 0.3501 0.3521 0.8008 0.8040 1.0256 1.0261 1.4730 1.4754 2.2294 2.2306 2.2808 2.3019 2.4020 2.4187 3.1707 3.1714 3.1933 3.1967 3.3821 3.3856 4.7808 4.7873 5.0270 5.0339 5.0995 5.1315 5.3235 5.3425 5.5224 5.5527 5.6613 5.6822 5.9509 5.9552 6.2364 6.2365 6.3458 6.3503 k =-0.3728 0.6394-0.0000 ( 2712 PWs) bands (ev): -13.2848 -13.2841 -12.3963 -12.3962 -12.2294 -12.2283 -11.6235 -11.6231 -0.8246 -0.8241 0.1222 0.1266 0.3426 0.3453 0.7952 0.7984 0.9895 0.9901 1.4866 1.4891 2.2126 2.2202 2.2828 2.2953 2.3658 2.3801 3.1665 3.1678 3.2043 3.2075 3.3902 3.3937 4.7918 4.7981 5.0423 5.0527 5.0990 5.1326 5.3161 5.3366 5.5296 5.5585 5.6585 5.6819 5.9395 5.9418 6.2535 6.2560 6.3309 6.3365 k =-0.3679 0.6593-0.0000 ( 2714 PWs) bands (ev): -13.2623 -13.2616 -12.3962 -12.3960 -12.2227 -12.2216 -11.6190 -11.6185 -0.8924 -0.8919 0.1482 0.1535 0.3347 0.3382 0.7883 0.7916 0.9522 0.9527 1.5044 1.5070 2.1775 2.1883 2.2969 2.2973 2.3460 2.3513 3.1567 3.1585 3.2148 3.2180 3.3979 3.4014 4.8029 4.8089 5.0589 5.0730 5.0985 5.1334 5.3087 5.3306 5.5385 5.5659 5.6542 5.6802 5.9274 5.9279 6.2733 6.2778 6.3164 6.3232 k =-0.3630 0.6791-0.0000 ( 2714 PWs) bands (ev): -13.2393 -13.2386 -12.3976 -12.3973 -12.2149 -12.2140 -11.6145 -11.6140 -0.9588 -0.9583 0.1740 0.1806 0.3269 0.3317 0.7801 0.7835 0.9139 0.9143 1.5260 1.5288 2.1388 2.1498 2.2783 2.2886 2.3519 2.3572 3.1418 3.1439 3.2249 3.2279 3.4053 3.4088 4.8140 4.8195 5.0762 5.0926 5.0995 5.1340 5.3012 5.3247 5.5490 5.5751 5.6481 5.6772 5.9138 5.9148 6.2957 6.3018 6.3023 6.3105 k =-0.3581 0.6990-0.0000 ( 2722 PWs) bands (ev): -13.2160 -13.2152 -12.4003 -12.3999 -12.2064 -12.2055 -11.6101 -11.6096 -1.0237 -1.0232 0.1985 0.2070 0.3203 0.3269 0.7700 0.7735 0.8751 0.8754 1.5510 1.5539 2.0989 2.1089 2.2530 2.2639 2.3737 2.3806 3.1223 3.1248 3.2344 3.2374 3.4122 3.4157 4.8250 4.8298 5.0931 5.0960 5.1167 5.1349 5.2939 5.3189 5.5612 5.5862 5.6404 5.6730 5.8995 5.9016 6.2885 6.2980 6.3207 6.3282 k =-0.3532 0.7188-0.0000 ( 2716 PWs) bands (ev): -13.1923 -13.1915 -12.4042 -12.4038 -12.1972 -12.1964 -11.6056 -11.6051 -1.0868 -1.0863 0.2196 0.2306 0.3171 0.3262 0.7574 0.7610 0.8369 0.8370 1.5791 1.5820 2.0578 2.0664 2.2299 2.2393 2.4000 2.4070 3.0990 3.1016 3.2433 3.2463 3.4188 3.4224 4.8360 4.8399 5.0956 5.1083 5.1370 5.1372 5.2866 5.3133 5.5748 5.5995 5.6310 5.6681 5.8852 5.8882 6.2754 6.2864 6.3482 6.3566 k =-0.3483 0.7387-0.0000 ( 2712 PWs) bands (ev): -13.1683 -13.1675 -12.4094 -12.4089 -12.1875 -12.1867 -11.6013 -11.6008 -1.1480 -1.1475 0.2342 0.2468 0.3222 0.3329 0.7399 0.7436 0.8017 0.8017 1.6096 1.6127 2.0157 2.0227 2.2103 2.2179 2.4275 2.4343 3.0724 3.0752 3.2517 3.2546 3.4250 3.4287 4.8467 4.8497 5.0951 5.1189 5.1423 5.1563 5.2796 5.3082 5.5888 5.6140 5.6209 5.6632 5.8709 5.8744 6.2630 6.2754 6.3779 6.3871 k =-0.3435 0.7585-0.0000 ( 2712 PWs) bands (ev): -13.1441 -13.1433 -12.4157 -12.4151 -12.1774 -12.1767 -11.5970 -11.5965 -1.2070 -1.2065 0.2403 0.2522 0.3393 0.3491 0.7143 0.7176 0.7731 0.7736 1.6422 1.6455 1.9724 1.9781 2.1944 2.2005 2.4554 2.4620 3.0432 3.0460 3.2596 3.2623 3.4309 3.4346 4.8572 4.8591 5.0946 5.1234 5.1519 5.1733 5.2729 5.3037 5.6005 5.6063 5.6334 5.6609 5.8567 5.8605 6.2513 6.2651 6.4100 6.4196 k =-0.3386 0.7784-0.0000 ( 2714 PWs) bands (ev): -13.1197 -13.1188 -12.4230 -12.4224 -12.1671 -12.1664 -11.5928 -11.5923 -1.2637 -1.2632 0.2399 0.2498 0.3654 0.3733 0.6800 0.6826 0.7521 0.7531 1.6765 1.6798 1.9282 1.9327 2.1823 2.1870 2.4834 2.4897 3.0119 3.0147 3.2667 3.2692 3.4365 3.4403 4.8674 4.8681 5.0941 5.1244 5.1629 5.1876 5.2664 5.2997 5.5917 5.6052 5.6531 5.6657 5.8427 5.8465 6.2404 6.2556 6.4442 6.4540 k =-0.3337 0.7982-0.0000 ( 2712 PWs) bands (ev): -13.0951 -13.0942 -12.4313 -12.4306 -12.1566 -12.1560 -11.5888 -11.5883 -1.3180 -1.3175 0.2361 0.2443 0.3960 0.4023 0.6408 0.6430 0.7350 0.7364 1.7119 1.7153 1.8831 1.8866 2.1738 2.1773 2.5111 2.5172 2.9791 2.9818 3.2732 3.2755 3.4417 3.4456 4.8766 4.8773 5.0938 5.1243 5.1729 5.1990 5.2604 5.2966 5.5754 5.6008 5.6747 5.6796 5.8289 5.8326 6.2306 6.2470 6.4805 6.4903 k =-0.3288 0.8181-0.0000 ( 2716 PWs) bands (ev): -13.0704 -13.0695 -12.4405 -12.4398 -12.1462 -12.1456 -11.5849 -11.5844 -1.3696 -1.3692 0.2309 0.2380 0.4292 0.4342 0.5998 0.6018 0.7192 0.7208 1.7480 1.7515 1.8374 1.8401 2.1687 2.1713 2.5385 2.5444 2.9454 2.9480 3.2788 3.2809 3.4466 3.4507 4.8846 4.8867 5.0936 5.1237 5.1813 5.2075 5.2548 5.2943 5.5576 5.5902 5.6977 5.6991 5.8154 5.8188 6.2216 6.2391 6.5187 6.5283 k =-0.3239 0.8380-0.0000 ( 2710 PWs) bands (ev): -13.0457 -13.0447 -12.4507 -12.4498 -12.1359 -12.1353 -11.5811 -11.5807 -1.4186 -1.4181 0.2256 0.2318 0.4640 0.4681 0.5584 0.5602 0.7036 0.7054 1.7827 1.7862 1.7929 1.7949 2.1669 2.1687 2.5653 2.5710 2.9113 2.9138 3.2837 3.2854 3.4512 3.4554 4.8922 4.8958 5.0937 5.1229 5.1879 5.2132 5.2497 5.2928 5.5385 5.5762 5.7211 5.7215 5.8026 5.8054 6.2137 6.2323 6.5588 6.5680 k =-0.3190 0.8578-0.0000 ( 2710 PWs) bands (ev): -13.0209 -13.0199 -12.4616 -12.4608 -12.1257 -12.1252 -11.5776 -11.5771 -1.4647 -1.4642 0.2206 0.2263 0.4998 0.5027 0.5181 0.5192 0.6878 0.6896 1.7440 1.7453 1.8212 1.8245 2.1682 2.1694 2.5915 2.5971 2.8774 2.8797 3.2875 3.2889 3.4555 3.4598 4.8993 4.9044 5.0938 5.1220 5.1926 5.2164 5.2451 5.2922 5.5180 5.5602 5.7438 5.7451 5.7909 5.7926 6.2068 6.2262 6.6003 6.6091 k =-0.3141 0.8777-0.0000 ( 2714 PWs) bands (ev): -12.9961 -12.9951 -12.4735 -12.4725 -12.1158 -12.1154 -11.5742 -11.5738 -1.5078 -1.5074 0.2164 0.2216 0.4766 0.4785 0.5372 0.5404 0.6717 0.6735 1.6969 1.6979 1.8567 1.8601 2.1725 2.1732 2.6169 2.6223 2.8441 2.8462 3.2902 3.2912 3.4594 3.4638 4.9059 4.9126 5.0943 5.1212 5.1956 5.2175 5.2411 5.2922 5.4965 5.5426 5.7633 5.7647 5.7824 5.7849 6.2009 6.2210 6.6431 6.6512 k =-0.3092 0.8975-0.0000 ( 2718 PWs) bands (ev): -12.9714 -12.9704 -12.4861 -12.4851 -12.1062 -12.1059 -11.5711 -11.5707 -1.5479 -1.5475 0.2132 0.2181 0.4376 0.4394 0.5749 0.5777 0.6552 0.6570 1.6494 1.6502 1.8911 1.8945 2.1797 2.1800 2.6413 2.6466 2.8119 2.8139 3.2916 3.2922 3.4628 3.4673 4.9122 4.9203 5.0949 5.1205 5.1971 5.2168 5.2378 5.2929 5.4742 5.5240 5.7605 5.7645 5.7932 5.8001 6.1958 6.2165 6.6867 6.6942 k =-0.3043 0.9174-0.0000 ( 2706 PWs) bands (ev): -12.9469 -12.9458 -12.4995 -12.4985 -12.0970 -12.0967 -11.5682 -11.5679 -1.5848 -1.5844 0.2111 0.2157 0.3999 0.4017 0.6126 0.6149 0.6395 0.6411 1.6019 1.6023 1.9240 1.9272 2.1895 2.1895 2.6646 2.6697 2.7815 2.7832 3.2917 3.2917 3.4659 3.4705 4.9182 4.9277 5.0961 5.1203 5.1974 5.2149 5.2353 5.2943 5.4514 5.5048 5.7504 5.7538 5.8147 5.8224 6.1918 6.2129 6.7307 6.7375 k =-0.2994 0.9372-0.0000 ( 2710 PWs) bands (ev): -12.9224 -12.9214 -12.5137 -12.5127 -12.0883 -12.0880 -11.5656 -11.5653 -1.6184 -1.6181 0.2103 0.2146 0.3639 0.3657 0.6189 0.6204 0.6555 0.6574 1.5541 1.5544 1.9547 1.9577 2.2017 2.2020 2.6865 2.6913 2.7531 2.7546 3.2897 3.2902 3.4686 3.4732 4.9239 4.9346 5.0976 5.1203 5.1964 5.2117 5.2334 5.2962 5.4281 5.4852 5.7398 5.7429 5.8359 5.8448 6.1885 6.2098 6.7747 6.7807 k =-0.2945 0.9571-0.0000 ( 2706 PWs) bands (ev): -12.8982 -12.8971 -12.5286 -12.5276 -12.0800 -12.0798 -11.5633 -11.5630 -1.6488 -1.6485 0.2107 0.2149 0.3298 0.3316 0.6018 0.6034 0.6950 0.6968 1.5064 1.5065 1.9827 1.9856 2.2164 2.2170 2.7062 2.7100 2.7280 2.7301 3.2859 3.2869 3.4708 3.4755 4.9295 4.9412 5.0998 5.1210 5.1945 5.2077 5.2323 5.2989 5.4049 5.4657 5.7294 5.7325 5.8561 5.8665 6.1859 6.2073 6.8179 6.8231 k =-0.2896 0.9769-0.0000 ( 2710 PWs) bands (ev): -12.8742 -12.8731 -12.5443 -12.5433 -12.0723 -12.0721 -11.5613 -11.5610 -1.6758 -1.6755 0.2124 0.2165 0.2978 0.2996 0.5840 0.5855 0.7359 0.7375 1.4586 1.4587 2.0077 2.0102 2.2337 2.2343 2.7024 2.7024 2.7278 2.7333 3.2802 3.2819 3.4724 3.4772 4.9350 4.9475 5.1027 5.1222 5.1918 5.2029 5.2318 5.3021 5.3816 5.4463 5.7194 5.7226 5.8754 5.8871 6.1840 6.2054 6.8598 6.8641 k =-0.2847 0.9968-0.0000 ( 2706 PWs) bands (ev): -12.8504 -12.8493 -12.5608 -12.5597 -12.0651 -12.0650 -11.5596 -11.5593 -1.6993 -1.6991 0.2155 0.2194 0.2681 0.2698 0.5659 0.5674 0.7775 0.7791 1.4109 1.4110 2.0292 2.0314 2.2533 2.2541 2.6829 2.6832 2.7444 2.7497 3.2724 3.2748 3.4736 3.4783 4.9407 4.9536 5.1063 5.1242 5.1884 5.1975 5.2319 5.3060 5.3587 5.4275 5.7098 5.7134 5.8935 5.9066 6.1827 6.2039 6.8996 6.9029 k =-0.2799 1.0166-0.0000 ( 2710 PWs) bands (ev): -12.8269 -12.8259 -12.5779 -12.5768 -12.0586 -12.0585 -11.5583 -11.5580 -1.7193 -1.7192 0.2198 0.2236 0.2407 0.2425 0.5477 0.5491 0.8199 0.8213 1.3633 1.3634 2.0468 2.0486 2.2751 2.2760 2.6662 2.6670 2.7596 2.7649 3.2626 3.2657 3.4742 3.4789 4.9465 4.9595 5.1109 5.1271 5.1844 5.1916 5.2326 5.3102 5.3366 5.4095 5.7007 5.7048 5.9105 5.9251 6.1820 6.2029 6.9362 6.9385 k =-0.2750 1.0365-0.0000 ( 2718 PWs) bands (ev): -12.8038 -12.8027 -12.5958 -12.5947 -12.0526 -12.0526 -11.5573 -11.5571 -1.7358 -1.7357 0.2155 0.2175 0.2258 0.2295 0.5295 0.5309 0.8628 0.8640 1.3158 1.3159 2.0604 2.0618 2.2992 2.3001 2.6530 2.6541 2.7728 2.7782 3.2506 3.2544 3.4742 3.4788 4.9527 4.9654 5.1164 5.1309 5.1799 5.1853 5.2337 5.3111 5.3192 5.3927 5.6920 5.6969 5.9265 5.9424 6.1817 6.2021 6.9689 6.9702 k =-0.2701 1.0564-0.0000 ( 2722 PWs) bands (ev): -12.7811 -12.7800 -12.6144 -12.6133 -12.0473 -12.0473 -11.5567 -11.5565 -1.7488 -1.7488 0.1934 0.1954 0.2326 0.2363 0.5115 0.5129 0.9063 0.9075 1.2686 1.2687 2.0701 2.0710 2.3253 2.3263 2.6431 2.6447 2.7837 2.7893 3.2364 3.2410 3.4736 3.4780 4.9592 4.9713 5.1231 5.1359 5.1750 5.1787 5.2352 5.2930 5.3222 5.3773 5.6838 5.6897 5.9414 5.9587 6.1818 6.2017 6.9965 6.9967 k =-0.2652 1.0762-0.0000 ( 2722 PWs) bands (ev): -12.7588 -12.7576 -12.6336 -12.6325 -12.0427 -12.0427 -11.5565 -11.5563 -1.7582 -1.7582 0.1739 0.1759 0.2409 0.2445 0.4938 0.4951 0.9504 0.9514 1.2216 1.2218 2.0760 2.0764 2.3533 2.3543 2.6363 2.6384 2.7922 2.7979 3.2201 3.2254 3.4724 3.4766 4.9663 4.9772 5.1311 5.1419 5.1698 5.1720 5.2369 5.2737 5.3281 5.3638 5.6761 5.6832 5.9555 5.9741 6.1822 6.2016 7.0170 7.0180 k =-0.2652 1.0762-0.0000 ( 2722 PWs) bands (ev): -12.7588 -12.7576 -12.6336 -12.6325 -12.0427 -12.0427 -11.5565 -11.5563 -1.7582 -1.7582 0.1739 0.1759 0.2409 0.2445 0.4938 0.4951 0.9504 0.9514 1.2216 1.2218 2.0760 2.0764 2.3533 2.3543 2.6363 2.6384 2.7922 2.7979 3.2201 3.2254 3.4724 3.4766 4.9663 4.9772 5.1311 5.1419 5.1698 5.1720 5.2369 5.2737 5.3281 5.3638 5.6761 5.6832 5.9555 5.9741 6.1822 6.2016 7.0170 7.0180 k =-0.2652 1.0762 0.0203 ( 2724 PWs) bands (ev): -12.7584 -12.7573 -12.6334 -12.6322 -12.0425 -12.0425 -11.5566 -11.5565 -1.7576 -1.7576 0.1725 0.1745 0.2406 0.2442 0.4939 0.4952 0.9472 0.9482 1.2178 1.2180 2.0758 2.0762 2.3544 2.3554 2.6377 2.6398 2.7933 2.7990 3.2196 3.2249 3.4731 3.4773 4.9637 4.9746 5.1248 5.1333 5.1762 5.1763 5.2362 5.2721 5.3303 5.3651 5.6763 5.6834 5.9576 5.9760 6.1862 6.2054 7.0180 7.0190 k =-0.2652 1.0762 0.0406 ( 2722 PWs) bands (ev): -12.7573 -12.7562 -12.6325 -12.6314 -12.0419 -12.0419 -11.5571 -11.5569 -1.7557 -1.7557 0.1684 0.1703 0.2398 0.2434 0.4941 0.4954 0.9377 0.9387 1.2066 1.2066 2.0750 2.0754 2.3575 2.3585 2.6418 2.6438 2.7969 2.8024 3.2181 3.2234 3.4753 3.4795 4.9561 4.9671 5.1103 5.1163 5.1849 5.1870 5.2346 5.2684 5.3360 5.3688 5.6769 5.6838 5.9636 5.9819 6.1978 6.2168 7.0212 7.0222 k =-0.2652 1.0762 0.0609 ( 2720 PWs) bands (ev): -12.7555 -12.7544 -12.6311 -12.6300 -12.0408 -12.0408 -11.5577 -11.5576 -1.7525 -1.7525 0.1614 0.1633 0.2384 0.2420 0.4944 0.4958 0.9223 0.9234 1.1884 1.1884 2.0737 2.0741 2.3618 2.3629 2.6480 2.6500 2.8030 2.8085 3.2155 3.2209 3.4791 3.4832 4.9441 4.9551 5.0921 5.0963 5.1939 5.1971 5.2327 5.2640 5.3435 5.3741 5.6777 5.6846 5.9735 5.9914 6.2166 6.2353 7.0264 7.0274 k =-0.2652 1.0762 0.0811 ( 2719 PWs) bands (ev): -12.7530 -12.7519 -12.6292 -12.6280 -12.0394 -12.0393 -11.5587 -11.5585 -1.7480 -1.7480 0.1516 0.1534 0.2361 0.2398 0.4947 0.4964 0.9016 0.9028 1.1641 1.1643 2.0720 2.0724 2.3662 2.3674 2.6559 2.6577 2.8121 2.8174 3.2117 3.2171 3.4845 3.4884 4.9285 4.9394 5.0720 5.0748 5.2020 5.2058 5.2311 5.2602 5.3519 5.3806 5.6788 5.6855 5.9866 6.0041 6.2417 6.2599 7.0336 7.0345 k =-0.2652 1.0762 0.1014 ( 2720 PWs) bands (ev): -12.7499 -12.7488 -12.6267 -12.6256 -12.0375 -12.0375 -11.5600 -11.5598 -1.7423 -1.7423 0.1389 0.1406 0.2330 0.2367 0.4950 0.4969 0.8765 0.8777 1.1347 1.1351 2.0698 2.0702 2.3696 2.3710 2.6644 2.6661 2.8245 2.8296 3.2064 3.2119 3.4915 3.4953 4.9103 4.9209 5.0508 5.0524 5.2089 5.2130 5.2303 5.2577 5.3604 5.3877 5.6801 5.6866 6.0026 6.0195 6.2722 6.2898 7.0426 7.0435 k =-0.2652 1.0762 0.1217 ( 2722 PWs) bands (ev): -12.7460 -12.7449 -12.6237 -12.6226 -12.0352 -12.0352 -11.5615 -11.5613 -1.7354 -1.7354 0.1233 0.1249 0.2285 0.2323 0.4952 0.4974 0.8478 0.8491 1.1014 1.1020 2.0672 2.0676 2.3708 2.3724 2.6728 2.6743 2.8404 2.8452 3.1997 3.2052 3.5004 3.5040 4.8905 4.9009 5.0293 5.0300 5.2148 5.2189 5.2307 5.2564 5.3689 5.3952 5.6816 5.6878 6.0209 6.0371 6.3069 6.3240 7.0533 7.0541 k =-0.2652 1.0762 0.1420 ( 2722 PWs) bands (ev): -12.7415 -12.7404 -12.6202 -12.6191 -12.0325 -12.0325 -11.5633 -11.5631 -1.7272 -1.7272 0.1048 0.1063 0.2225 0.2263 0.4952 0.4976 0.8167 0.8181 1.0653 1.0662 2.0642 2.0647 2.3690 2.3708 2.6800 2.6813 2.8596 2.8642 3.1913 3.1969 3.5111 3.5144 4.8705 4.8805 5.0080 5.0081 5.2197 5.2235 5.2322 5.2564 5.3775 5.4029 5.6832 5.6891 6.0409 6.0564 6.3450 6.3615 7.0654 7.0662 k =-0.2652 1.0762 0.1623 ( 2724 PWs) bands (ev): -12.7364 -12.7353 -12.6163 -12.6151 -12.0294 -12.0293 -11.5654 -11.5652 -1.7179 -1.7179 0.0832 0.0846 0.2144 0.2183 0.4948 0.4975 0.7845 0.7859 1.0276 1.0288 2.0609 2.0613 2.3637 2.3658 2.6852 2.6863 2.8819 2.8862 3.1813 3.1870 3.5237 3.5267 4.8511 4.8607 4.9873 4.9879 5.2238 5.2273 5.2349 5.2576 5.3862 5.4110 5.6850 5.6906 6.0621 6.0769 6.3854 6.4013 7.0788 7.0796 k =-0.2652 1.0762 0.1826 ( 2724 PWs) bands (ev): -12.7306 -12.7295 -12.6118 -12.6107 -12.0259 -12.0258 -11.5677 -11.5676 -1.7074 -1.7074 0.0587 0.0600 0.2038 0.2077 0.4937 0.4968 0.7522 0.7537 0.9893 0.9909 2.0572 2.0577 2.3548 2.3570 2.6877 2.6884 2.9063 2.9103 3.1698 3.1755 3.5380 3.5407 4.8334 4.8425 4.9682 4.9693 5.2274 5.2306 5.2381 5.2597 5.3951 5.4194 5.6870 5.6923 6.0841 6.0982 6.4272 6.4425 7.0931 7.0939 k =-0.2652 1.0762 0.2028 ( 2724 PWs) bands (ev): -12.7242 -12.7232 -12.6070 -12.6059 -12.0220 -12.0220 -11.5704 -11.5702 -1.6957 -1.6957 0.0311 0.0323 0.1900 0.1939 0.4918 0.4952 0.7212 0.7227 0.9515 0.9534 2.0532 2.0537 2.3421 2.3446 2.6867 2.6872 2.9317 2.9354 3.1574 3.1630 3.5539 3.5562 4.8179 4.8265 4.9513 4.9528 5.2304 5.2337 5.2417 5.2625 5.4046 5.4283 5.6892 5.6942 6.1066 6.1199 6.4697 6.4844 7.1083 7.1091 k =-0.2652 1.0762 0.2231 ( 2722 PWs) bands (ev): -12.7173 -12.7163 -12.6017 -12.6006 -12.0177 -12.0177 -11.5733 -11.5731 -1.6830 -1.6830 0.0004 0.0016 0.1725 0.1765 0.4886 0.4924 0.6926 0.6942 0.9151 0.9173 2.0489 2.0494 2.3260 2.3286 2.6820 2.6821 2.9561 2.9594 3.1453 3.1508 3.5712 3.5730 4.8053 4.8134 4.9370 4.9388 5.2330 5.2366 5.2455 5.2657 5.4146 5.4379 5.6916 5.6964 6.1293 6.1419 6.5121 6.5262 7.1239 7.1247 k =-0.2652 1.0762 0.2434 ( 2728 PWs) bands (ev): -12.7099 -12.7089 -12.5961 -12.5950 -12.0131 -12.0130 -11.5765 -11.5763 -1.6692 -1.6692 -0.0331 -0.0321 0.1510 0.1549 0.4838 0.4880 0.6676 0.6691 0.8810 0.8836 2.0442 2.0448 2.3067 2.3095 2.6731 2.6732 2.9766 2.9793 3.1361 3.1411 3.5894 3.5908 4.7957 4.8033 4.9256 4.9276 5.2353 5.2392 5.2495 5.2692 5.4255 5.4482 5.6943 5.6988 6.1520 6.1640 6.5539 6.5674 7.1399 7.1406 k =-0.2652 1.0762 0.2637 ( 2728 PWs) bands (ev): -12.7020 -12.7010 -12.5901 -12.5891 -12.0081 -12.0080 -11.5799 -11.5798 -1.6544 -1.6544 -0.0695 -0.0685 0.1252 0.1290 0.4770 0.4814 0.6467 0.6482 0.8502 0.8531 2.0392 2.0398 2.2845 2.2875 2.6600 2.6604 2.9885 2.9900 3.1342 3.1382 3.6083 3.6092 4.7896 4.7967 4.9174 4.9196 5.2374 5.2416 5.2538 5.2729 5.4373 5.4594 5.6974 5.7016 6.1746 6.1860 6.5947 6.6075 7.1558 7.1566 k =-0.2652 1.0762 0.2840 ( 2730 PWs) bands (ev): -12.6936 -12.6926 -12.5839 -12.5829 -12.0027 -12.0027 -11.5837 -11.5835 -1.6387 -1.6387 -0.1086 -0.1076 0.0952 0.0989 0.4676 0.4722 0.6304 0.6318 0.8233 0.8265 2.0339 2.0345 2.2598 2.2628 2.6430 2.6437 2.9876 2.9877 3.1434 3.1459 3.6273 3.6278 4.7869 4.7934 4.9124 4.9147 5.2392 5.2438 5.2582 5.2767 5.4501 5.4715 5.7008 5.7048 6.1971 6.2079 6.6340 6.6462 7.1716 7.1725 k =-0.2652 1.0762 0.3043 ( 2730 PWs) bands (ev): -12.6848 -12.6838 -12.5774 -12.5764 -11.9970 -11.9970 -11.5877 -11.5875 -1.6221 -1.6221 -0.1501 -0.1492 0.0615 0.0650 0.4553 0.4600 0.6188 0.6200 0.8011 0.8044 2.0282 2.0289 2.2327 2.2358 2.6223 2.6233 2.9732 2.9745 3.1625 3.1637 3.6460 3.6462 4.7874 4.7934 4.9106 4.9130 5.2410 5.2458 5.2625 5.2803 5.4639 5.4847 5.7046 5.7084 6.2196 6.2298 6.6716 6.6832 7.1870 7.1880 k =-0.2652 1.0762 0.3245 ( 2732 PWs) bands (ev): -12.6756 -12.6747 -12.5707 -12.5697 -11.9910 -11.9909 -11.5920 -11.5918 -1.6047 -1.6047 -0.1938 -0.1929 0.0247 0.0280 0.4398 0.4445 0.6115 0.6125 0.7839 0.7872 2.0220 2.0227 2.2035 2.2066 2.5983 2.5995 2.9506 2.9527 3.1875 3.1879 3.6639 3.6642 4.7910 4.7965 4.9119 4.9143 5.2428 5.2477 5.2668 5.2838 5.4788 5.4988 5.7088 5.7124 6.2419 6.2517 6.7074 6.7183 7.2020 7.2030 k =-0.2652 1.0762 0.3448 ( 2732 PWs) bands (ev): -12.6661 -12.6652 -12.5638 -12.5629 -11.9846 -11.9846 -11.5965 -11.5964 -1.5866 -1.5866 -0.2393 -0.2385 -0.0144 -0.0113 0.4212 0.4257 0.6082 0.6091 0.7716 0.7748 2.0153 2.0160 2.1725 2.1756 2.5715 2.5729 2.9232 2.9257 3.2152 3.2152 3.6808 3.6814 4.7974 4.8023 4.9162 4.9185 5.2445 5.2497 5.2710 5.2871 5.4947 5.5140 5.7135 5.7169 6.2644 6.2736 6.7412 6.7515 7.2163 7.2175 k =-0.2652 1.0762 0.3651 ( 2724 PWs) bands (ev): -12.6564 -12.6555 -12.5568 -12.5559 -11.9779 -11.9779 -11.6013 -11.6012 -1.5678 -1.5678 -0.2864 -0.2855 -0.0549 -0.0520 0.3996 0.4038 0.6084 0.6092 0.7641 0.7670 2.0080 2.0087 2.1398 2.1428 2.5423 2.5438 2.8927 2.8953 3.2439 3.2441 3.6966 3.6975 4.8062 4.8105 4.9230 4.9254 5.2464 5.2517 5.2749 5.2901 5.5116 5.5301 5.7187 5.7219 6.2870 6.2958 6.7730 6.7827 7.2299 7.2312 k =-0.2652 1.0762 0.3854 ( 2720 PWs) bands (ev): -12.6464 -12.6455 -12.5498 -12.5489 -11.9710 -11.9709 -11.6064 -11.6063 -1.5484 -1.5484 -0.3346 -0.3338 -0.0961 -0.0934 0.3755 0.3794 0.6118 0.6123 0.7607 0.7634 1.9998 2.0006 2.1056 2.1085 2.5114 2.5130 2.8603 2.8629 3.2728 3.2732 3.7110 3.7122 4.8171 4.8208 4.9321 4.9344 5.2483 5.2538 5.2786 5.2929 5.5294 5.5471 5.7242 5.7273 6.3098 6.3182 6.8029 6.8120 7.2427 7.2442 k =-0.2652 1.0762 0.4057 ( 2721 PWs) bands (ev): -12.6362 -12.6354 -12.5427 -12.5418 -11.9637 -11.9637 -11.6117 -11.6116 -1.5286 -1.5286 -0.3837 -0.3829 -0.1372 -0.1347 0.3494 0.3529 0.6177 0.6181 0.7610 0.7634 1.9907 1.9914 2.0701 2.0729 2.4792 2.4809 2.8267 2.8293 3.3015 3.3020 3.7241 3.7254 4.8295 4.8328 4.9429 4.9452 5.2504 5.2559 5.2820 5.2954 5.5479 5.5648 5.7303 5.7331 6.3328 6.3408 6.8309 6.8394 7.2545 7.2562 k =-0.2652 1.0762 0.4260 ( 2719 PWs) bands (ev): -12.6259 -12.6251 -12.5356 -12.5348 -11.9562 -11.9562 -11.6173 -11.6172 -1.5085 -1.5085 -0.4333 -0.4325 -0.1777 -0.1753 0.3215 0.3246 0.6260 0.6263 0.7644 0.7665 1.9803 1.9810 2.0334 2.0362 2.4466 2.4483 2.7925 2.7949 3.3297 3.3302 3.7357 3.7372 4.8432 4.8459 4.9551 4.9573 5.2526 5.2582 5.2852 5.2977 5.5670 5.5831 5.7367 5.7393 6.3563 6.3639 6.8571 6.8651 7.2655 7.2674 k =-0.2652 1.0762 0.4462 ( 2723 PWs) bands (ev): -12.6155 -12.6148 -12.5287 -12.5278 -11.9485 -11.9484 -11.6232 -11.6231 -1.4881 -1.4881 -0.4829 -0.4822 -0.2168 -0.2146 0.2922 0.2950 0.6363 0.6365 0.7705 0.7722 1.9682 1.9688 1.9960 1.9986 2.4141 2.4158 2.7581 2.7603 3.3572 3.3577 3.7457 3.7473 4.8578 4.8601 4.9682 4.9703 5.2551 5.2607 5.2881 5.2998 5.5865 5.6019 5.7434 5.7458 6.3803 6.3876 6.8816 6.8891 7.2755 7.2776 k =-0.2652 1.0762 0.4665 ( 2719 PWs) bands (ev): -12.6051 -12.6044 -12.5218 -12.5210 -11.9405 -11.9404 -11.6293 -11.6292 -1.4677 -1.4677 -0.5324 -0.5317 -0.2540 -0.2520 0.2619 0.2644 0.6484 0.6485 0.7787 0.7802 1.9527 1.9528 1.9598 1.9618 2.3827 2.3842 2.7238 2.7259 3.3838 3.3843 3.7543 3.7560 4.8731 4.8748 4.9818 4.9838 5.2577 5.2634 5.2908 5.3017 5.6063 5.6210 5.7506 5.7528 6.4049 6.4118 6.9046 6.9116 7.2847 7.2869 k =-0.2652 1.0762 0.4868 ( 2715 PWs) bands (ev): -12.5947 -12.5940 -12.5151 -12.5143 -11.9322 -11.9322 -11.6357 -11.6356 -1.4474 -1.4474 -0.5814 -0.5807 -0.2890 -0.2871 0.2307 0.2329 0.6621 0.6622 0.7890 0.7901 1.9175 1.9196 1.9398 1.9400 2.3529 2.3543 2.6900 2.6918 3.4096 3.4101 3.7615 3.7633 4.8887 4.8900 4.9954 4.9973 5.2607 5.2663 5.2933 5.3034 5.6261 5.6401 5.7580 5.7600 6.4301 6.4366 6.9259 6.9325 7.2928 7.2953 k =-0.2652 1.0762 0.5071 ( 2717 PWs) bands (ev): -12.5844 -12.5837 -12.5086 -12.5079 -11.9238 -11.9238 -11.6423 -11.6422 -1.4273 -1.4273 -0.6296 -0.6290 -0.3212 -0.3194 0.1988 0.2007 0.6772 0.6772 0.8009 0.8018 1.8784 1.8804 1.9209 1.9210 2.3254 2.3267 2.6567 2.6583 3.4345 3.4350 3.7673 3.7691 4.9043 4.9052 5.0087 5.0105 5.2638 5.2694 5.2956 5.3050 5.6458 5.6592 5.7656 5.7673 6.4560 6.4621 6.9457 6.9518 7.3000 7.3027 k =-0.2652 1.0762 0.5274 ( 2720 PWs) bands (ev): -12.5742 -12.5736 -12.5024 -12.5017 -11.9152 -11.9152 -11.6491 -11.6490 -1.4076 -1.4075 -0.6769 -0.6762 -0.3502 -0.3486 0.1663 0.1680 0.6936 0.6937 0.8142 0.8149 1.8389 1.8408 1.8994 1.8995 2.3010 2.3020 2.6242 2.6256 3.4585 3.4589 3.7718 3.7735 4.9199 4.9204 5.0215 5.0232 5.2673 5.2727 5.2977 5.3064 5.6651 5.6779 5.7733 5.7748 6.4825 6.4883 6.9640 6.9697 7.3062 7.3092 k =-0.2652 1.0762 0.5477 ( 2725 PWs) bands (ev): -12.5642 -12.5637 -12.4966 -12.4959 -11.9064 -11.9064 -11.6562 -11.6561 -1.3883 -1.3883 -0.7228 -0.7222 -0.3758 -0.3743 0.1333 0.1348 0.7112 0.7113 0.8288 0.8293 1.7994 1.8011 1.8749 1.8751 2.2799 2.2807 2.5926 2.5938 3.4815 3.4819 3.7750 3.7767 4.9350 4.9353 5.0333 5.0348 5.2709 5.2761 5.2996 5.3077 5.6840 5.6961 5.7812 5.7823 6.5097 6.5152 6.9805 6.9859 7.3114 7.3147 k =-0.2652 1.0762 0.5680 ( 2731 PWs) bands (ev): -12.5545 -12.5539 -12.4911 -12.4904 -11.8975 -11.8974 -11.6635 -11.6634 -1.3698 -1.3697 -0.7674 -0.7668 -0.3976 -0.3962 0.0999 0.1012 0.7299 0.7300 0.8445 0.8448 1.7602 1.7618 1.8475 1.8480 2.2625 2.2630 2.5621 2.5630 3.5036 3.5040 3.7770 3.7787 4.9497 4.9498 5.0442 5.0455 5.2747 5.2796 5.3015 5.3088 5.7021 5.7137 5.7890 5.7898 6.5375 6.5427 6.9953 7.0003 7.3156 7.3193 k =-0.2652 1.0762 0.5882 ( 2735 PWs) bands (ev): -12.5450 -12.5445 -12.4860 -12.4854 -11.8884 -11.8884 -11.6710 -11.6709 -1.3519 -1.3519 -0.8103 -0.8098 -0.4154 -0.4141 0.0662 0.0673 0.7495 0.7497 0.8610 0.8613 1.7215 1.7229 1.8176 1.8182 2.2486 2.2489 2.5327 2.5334 3.5248 3.5252 3.7778 3.7794 4.9637 4.9641 5.0540 5.0551 5.2785 5.2832 5.3032 5.3099 5.7195 5.7305 5.7966 5.7971 6.5659 6.5708 7.0080 7.0127 7.3187 7.3229 k =-0.2652 1.0762 0.6085 ( 2731 PWs) bands (ev): -12.5359 -12.5354 -12.4813 -12.4808 -11.8792 -11.8792 -11.6787 -11.6786 -1.3349 -1.3348 -0.8515 -0.8510 -0.4290 -0.4278 0.0323 0.0333 0.7700 0.7702 0.8783 0.8784 1.6836 1.6849 1.7856 1.7864 2.2382 2.2382 2.5045 2.5050 3.5451 3.5455 3.7776 3.7791 4.9771 4.9777 5.0627 5.0635 5.2825 5.2867 5.3050 5.3110 5.7359 5.7463 5.8041 5.8042 6.5949 6.5994 7.0185 7.0228 7.3206 7.3253 k =-0.2652 1.0762 0.6288 ( 2737 PWs) bands (ev): -12.5271 -12.5267 -12.4772 -12.4766 -11.8699 -11.8699 -11.6866 -11.6865 -1.3187 -1.3186 -0.8908 -0.8904 -0.4383 -0.4372 -0.0017 -0.0009 0.7912 0.7914 0.8960 0.8960 1.6470 1.6480 1.7521 1.7530 2.2307 2.2309 2.4775 2.4778 3.5645 3.5649 3.7762 3.7777 4.9897 4.9905 5.0701 5.0707 5.2863 5.2901 5.3066 5.3120 5.7512 5.7610 5.8110 5.8113 6.6242 6.6284 7.0264 7.0302 7.3208 7.3262 k =-0.2652 1.0762 0.6491 ( 2739 PWs) bands (ev): -12.5188 -12.5185 -12.4736 -12.4731 -11.8605 -11.8605 -11.6947 -11.6947 -1.3033 -1.3032 -0.9281 -0.9277 -0.4432 -0.4423 -0.0357 -0.0350 0.8129 0.8132 0.9138 0.9139 1.6119 1.6128 1.7176 1.7187 2.2262 2.2265 2.4518 2.4518 3.5831 3.5835 3.7739 3.7754 5.0016 5.0025 5.0763 5.0767 5.2899 5.2933 5.3082 5.3129 5.7653 5.7746 5.8175 5.8181 6.6539 6.6578 7.0312 7.0346 7.3193 7.3251 k =-0.2652 1.0762 0.6694 ( 2743 PWs) bands (ev): -12.5110 -12.5107 -12.4705 -12.4700 -11.8510 -11.8510 -11.7030 -11.7030 -1.2886 -1.2885 -0.9633 -0.9630 -0.4439 -0.4430 -0.0696 -0.0691 0.8351 0.8354 0.9313 0.9315 1.5788 1.5795 1.6828 1.6839 2.2242 2.2247 2.4272 2.4273 3.6008 3.6012 3.7706 3.7720 5.0126 5.0137 5.0813 5.0815 5.2933 5.2961 5.3098 5.3138 5.7782 5.7868 5.8236 5.8244 6.6839 6.6875 7.0326 7.0354 7.3163 7.3216 k =-0.2652 1.0762 0.6897 ( 2748 PWs) bands (ev): -12.5036 -12.5034 -12.4680 -12.4676 -11.8415 -11.8415 -11.7115 -11.7115 -1.2744 -1.2743 -0.9964 -0.9961 -0.4403 -0.4396 -0.1034 -0.1029 0.8575 0.8578 0.9482 0.9483 1.5483 1.5488 1.6482 1.6494 2.2245 2.2251 2.4039 2.4041 3.6176 3.6180 3.7664 3.7677 5.0228 5.0240 5.0853 5.0854 5.2963 5.2986 5.3114 5.3147 5.7897 5.7976 5.8291 5.8302 6.7138 6.7172 7.0302 7.0325 7.3128 7.3171 k =-0.2652 1.0762 0.7099 ( 2746 PWs) bands (ev): -12.4968 -12.4966 -12.4662 -12.4658 -11.8319 -11.8319 -11.7201 -11.7201 -1.2606 -1.2605 -1.0273 -1.0271 -0.4327 -0.4321 -0.1367 -0.1364 0.8799 0.8802 0.9637 0.9639 1.5211 1.5214 1.6145 1.6157 2.2270 2.2277 2.3819 2.3823 3.6336 3.6341 3.7613 3.7624 5.0321 5.0332 5.0881 5.0884 5.2990 5.3008 5.3129 5.3156 5.7998 5.8070 5.8342 5.8355 6.7438 6.7468 7.0239 7.0256 7.3099 7.3131 k =-0.2652 1.0762 0.7302 ( 2746 PWs) bands (ev): -12.4906 -12.4904 -12.4650 -12.4647 -11.8224 -11.8223 -11.7289 -11.7289 -1.2469 -1.2468 -1.0561 -1.0559 -0.4214 -0.4209 -0.1696 -0.1693 0.9019 0.9022 0.9772 0.9773 1.4978 1.4979 1.5822 1.5834 2.2314 2.2322 2.3612 2.3617 3.6488 3.6492 3.7552 3.7563 5.0403 5.0415 5.0900 5.0905 5.3013 5.3025 5.3144 5.3164 5.8085 5.8148 5.8386 5.8400 6.7736 6.7763 7.0137 7.0148 7.3081 7.3105 k =-0.2652 1.0762 0.7505 ( 2750 PWs) bands (ev): -12.4850 -12.4849 -12.4644 -12.4642 -11.8128 -11.8127 -11.7378 -11.7378 -1.2329 -1.2329 -1.0828 -1.0826 -0.4067 -0.4062 -0.2017 -0.2015 0.9230 0.9234 0.9878 0.9879 1.4794 1.4795 1.5520 1.5533 2.2376 2.2384 2.3419 2.3425 3.6631 3.6636 3.7483 3.7493 5.0474 5.0485 5.0912 5.0917 5.3030 5.3039 5.3156 5.3171 5.8157 5.8210 5.8424 5.8438 6.8030 6.8054 6.9998 7.0004 7.3076 7.3093 k =-0.2652 1.0762 0.7708 ( 2742 PWs) bands (ev): -12.4800 -12.4800 -12.4646 -12.4644 -11.8032 -11.8032 -11.7469 -11.7469 -1.2185 -1.2185 -1.1073 -1.1072 -0.3887 -0.3883 -0.2330 -0.2329 0.9429 0.9432 0.9948 0.9948 1.4666 1.4669 1.5247 1.5260 2.2454 2.2463 2.3239 2.3246 3.6766 3.6772 3.7406 3.7415 5.0533 5.0543 5.0918 5.0923 5.3044 5.3050 5.3167 5.3177 5.8215 5.8257 5.8456 5.8468 6.8318 6.8340 6.9827 6.9828 7.3082 7.3093 k =-0.2652 1.0762 0.7911 ( 2746 PWs) bands (ev): -12.4757 -12.4757 -12.4654 -12.4652 -11.7937 -11.7936 -11.7561 -11.7560 -1.2033 -1.2033 -1.1299 -1.1298 -0.3680 -0.3677 -0.2631 -0.2631 0.9607 0.9610 0.9972 0.9973 1.4603 1.4608 1.5011 1.5022 2.2549 2.2557 2.3073 2.3081 3.6893 3.6899 3.7320 3.7328 5.0579 5.0587 5.0920 5.0924 5.3053 5.3057 5.3175 5.3181 5.8259 5.8287 5.8479 5.8488 6.8598 6.8617 6.9625 6.9629 7.3094 7.3100 k =-0.2652 1.0762 0.8114 ( 2748 PWs) bands (ev): -12.4721 -12.4721 -12.4669 -12.4668 -11.7842 -11.7841 -11.7653 -11.7653 -1.1871 -1.1871 -1.1506 -1.1505 -0.3447 -0.3445 -0.2920 -0.2919 0.9758 0.9761 0.9948 0.9949 1.4608 1.4615 1.4821 1.4831 2.2658 2.2667 2.2921 2.2929 3.7012 3.7019 3.7225 3.7233 5.0609 5.0613 5.0920 5.0923 5.3059 5.3062 5.3181 5.3184 5.8288 5.8303 5.8495 5.8500 6.8864 6.8879 6.9405 6.9413 7.3106 7.3109 k =-0.2652 1.0762 0.8316 ( 2748 PWs) bands (ev): -12.4694 -12.4693 -12.4689 -12.4688 -11.7754 -11.7748 -11.7746 -11.7740 -1.1703 -1.1702 -1.1690 -1.1689 -0.3200 -0.3198 -0.3186 -0.3184 0.9862 0.9864 0.9887 0.9889 1.4670 1.4671 1.4704 1.4704 2.2779 2.2782 2.2791 2.2794 3.7119 3.7122 3.7131 3.7134 5.0620 5.0621 5.0920 5.0921 5.3061 5.3063 5.3183 5.3185 5.8302 5.8303 5.8501 5.8503 6.9055 6.9056 6.9239 6.9240 7.3112 7.3113 k =-0.2652 1.0762 0.8316 ( 2748 PWs) bands (ev): -12.4694 -12.4693 -12.4689 -12.4688 -11.7754 -11.7748 -11.7746 -11.7740 -1.1703 -1.1702 -1.1690 -1.1689 -0.3200 -0.3198 -0.3186 -0.3184 0.9862 0.9864 0.9887 0.9889 1.4670 1.4671 1.4704 1.4704 2.2779 2.2782 2.2791 2.2794 3.7119 3.7122 3.7131 3.7134 5.0620 5.0621 5.0920 5.0921 5.3061 5.3063 5.3183 5.3185 5.8302 5.8303 5.8501 5.8503 6.9055 6.9056 6.9239 6.9240 7.3112 7.3113 k =-0.2701 1.0564 0.8316 ( 2748 PWs) bands (ev): -12.4714 -12.4713 -12.4708 -12.4707 -11.7780 -11.7773 -11.7772 -11.7765 -1.1592 -1.1591 -1.1578 -1.1578 -0.3210 -0.3208 -0.3194 -0.3192 0.9757 0.9759 0.9787 0.9788 1.4769 1.4770 1.4807 1.4807 2.2911 2.2915 2.2927 2.2930 3.6990 3.6994 3.7006 3.7010 5.0473 5.0474 5.0808 5.0810 5.3151 5.3153 5.3273 5.3275 5.8327 5.8329 5.8550 5.8551 6.8675 6.8676 6.8866 6.8867 7.3421 7.3422 k =-0.2750 1.0365 0.8316 ( 2748 PWs) bands (ev): -12.4740 -12.4739 -12.4733 -12.4732 -11.7813 -11.7806 -11.7803 -11.7795 -1.1453 -1.1452 -1.1439 -1.1438 -0.3209 -0.3207 -0.3191 -0.3189 0.9647 0.9648 0.9680 0.9682 1.4860 1.4860 1.4902 1.4903 2.3043 2.3047 2.3063 2.3066 3.6858 3.6862 3.6879 3.6883 5.0339 5.0340 5.0702 5.0704 5.3250 5.3252 5.3369 5.3371 5.8356 5.8357 5.8601 5.8602 6.8298 6.8298 6.8496 6.8496 7.3724 7.3725 k =-0.2799 1.0166 0.8316 ( 2748 PWs) bands (ev): -12.4771 -12.4770 -12.4763 -12.4762 -11.7852 -11.7845 -11.7840 -11.7833 -1.1286 -1.1286 -1.1272 -1.1271 -0.3198 -0.3196 -0.3177 -0.3175 0.9534 0.9535 0.9571 0.9572 1.4940 1.4941 1.4986 1.4986 2.3174 2.3177 2.3197 2.3200 3.6725 3.6729 3.6750 3.6753 5.0223 5.0224 5.0609 5.0610 5.3352 5.3353 5.3467 5.3469 5.8388 5.8389 5.8654 5.8656 6.7923 6.7924 6.8129 6.8129 7.4019 7.4020 k =-0.2847 0.9968 0.8316 ( 2748 PWs) bands (ev): -12.4807 -12.4806 -12.4798 -12.4797 -11.7897 -11.7890 -11.7883 -11.7876 -1.1094 -1.1093 -1.1078 -1.1078 -0.3176 -0.3173 -0.3152 -0.3150 0.9422 0.9423 0.9462 0.9464 1.5006 1.5006 1.5055 1.5056 2.3303 2.3306 2.3328 2.3332 3.6590 3.6594 3.6619 3.6623 5.0128 5.0129 5.0532 5.0533 5.3451 5.3453 5.3563 5.3565 5.8425 5.8426 5.8711 5.8712 6.7553 6.7554 6.7765 6.7766 7.4307 7.4308 k =-0.2896 0.9769 0.8316 ( 2740 PWs) bands (ev): -12.4849 -12.4848 -12.4839 -12.4838 -11.7948 -11.7941 -11.7933 -11.7925 -1.0877 -1.0876 -1.0861 -1.0860 -0.3142 -0.3139 -0.3116 -0.3114 0.9314 0.9315 0.9357 0.9358 1.5055 1.5055 1.5106 1.5107 2.3429 2.3432 2.3457 2.3460 3.6456 3.6460 3.6488 3.6492 5.0057 5.0058 5.0476 5.0477 5.3545 5.3546 5.3656 5.3658 5.8468 5.8470 5.8772 5.8774 6.7187 6.7188 6.7406 6.7406 7.4586 7.4588 k =-0.2945 0.9571 0.8316 ( 2740 PWs) bands (ev): -12.4896 -12.4895 -12.4885 -12.4884 -11.8004 -11.7997 -11.7987 -11.7980 -1.0637 -1.0636 -1.0619 -1.0619 -0.3096 -0.3094 -0.3068 -0.3066 0.9211 0.9212 0.9257 0.9258 1.5084 1.5085 1.5138 1.5138 2.3552 2.3555 2.3580 2.3584 3.6324 3.6328 3.6360 3.6363 5.0011 5.0012 5.0442 5.0443 5.3630 5.3631 5.3743 5.3745 5.8517 5.8518 5.8837 5.8838 6.6825 6.6826 6.7051 6.7051 7.4857 7.4858 k =-0.2994 0.9372 0.8316 ( 2744 PWs) bands (ev): -12.4948 -12.4947 -12.4936 -12.4935 -11.8066 -11.8058 -11.8047 -11.8039 -1.0376 -1.0375 -1.0357 -1.0356 -0.3038 -0.3036 -0.3008 -0.3006 0.9116 0.9118 0.9165 0.9166 1.5093 1.5093 1.5147 1.5147 2.3670 2.3674 2.3699 2.3702 3.6196 3.6199 3.6234 3.6238 4.9992 4.9992 5.0432 5.0433 5.3705 5.3706 5.3823 5.3824 5.8570 5.8572 5.8905 5.8907 6.6467 6.6468 6.6700 6.6701 7.5119 7.5120 k =-0.3043 0.9174 0.8316 ( 2738 PWs) bands (ev): -12.5005 -12.5004 -12.4992 -12.4991 -11.8132 -11.8125 -11.8112 -11.8104 -1.0095 -1.0094 -1.0075 -1.0074 -0.2968 -0.2965 -0.2935 -0.2933 0.9032 0.9033 0.9083 0.9084 1.5078 1.5079 1.5134 1.5134 2.3784 2.3787 2.3811 2.3814 3.6073 3.6077 3.6115 3.6118 4.9999 5.0000 5.0447 5.0448 5.3770 5.3771 5.3895 5.3896 5.8630 5.8631 5.8977 5.8979 6.6115 6.6115 6.6355 6.6356 7.5371 7.5373 k =-0.3092 0.8975 0.8316 ( 2730 PWs) bands (ev): -12.5066 -12.5065 -12.5053 -12.5051 -11.8203 -11.8195 -11.8181 -11.8173 -0.9798 -0.9797 -0.9777 -0.9776 -0.2884 -0.2882 -0.2849 -0.2847 0.8960 0.8961 0.9013 0.9014 1.5041 1.5042 1.5097 1.5097 2.3889 2.3892 2.3914 2.3917 3.5960 3.5963 3.6004 3.6007 5.0033 5.0034 5.0486 5.0486 5.3824 5.3825 5.3959 5.3960 5.8695 5.8696 5.9053 5.9054 6.5768 6.5768 6.6016 6.6017 7.5615 7.5616 k =-0.3141 0.8777 0.8316 ( 2734 PWs) bands (ev): -12.5132 -12.5131 -12.5118 -12.5117 -11.8278 -11.8270 -11.8254 -11.8247 -0.9486 -0.9486 -0.9464 -0.9463 -0.2787 -0.2785 -0.2750 -0.2748 0.8902 0.8903 0.8957 0.8958 1.4982 1.4982 1.5037 1.5037 2.3984 2.3987 2.4007 2.4010 3.5857 3.5861 3.5905 3.5908 5.0091 5.0092 5.0546 5.0546 5.3868 5.3869 5.4014 5.4015 5.8763 5.8764 5.9130 5.9131 6.5426 6.5426 6.5683 6.5683 7.5848 7.5850 k =-0.3190 0.8578 0.8316 ( 2734 PWs) bands (ev): -12.5203 -12.5202 -12.5187 -12.5186 -11.8356 -11.8348 -11.8332 -11.8324 -0.9164 -0.9163 -0.9139 -0.9138 -0.2677 -0.2674 -0.2637 -0.2635 0.8859 0.8861 0.8918 0.8919 1.4900 1.4900 1.4954 1.4955 2.4066 2.4069 2.4085 2.4088 3.5771 3.5774 3.5822 3.5825 5.0172 5.0172 5.0626 5.0627 5.3903 5.3904 5.4063 5.4063 5.8834 5.8835 5.9208 5.9209 6.5090 6.5091 6.5356 6.5357 7.6072 7.6073 k =-0.3239 0.8380 0.8316 ( 2734 PWs) bands (ev): -12.5277 -12.5276 -12.5261 -12.5260 -11.8438 -11.8430 -11.8412 -11.8405 -0.8832 -0.8832 -0.8806 -0.8806 -0.2551 -0.2549 -0.2510 -0.2508 0.8835 0.8836 0.8896 0.8897 1.4798 1.4798 1.4852 1.4852 2.4130 2.4133 2.4147 2.4149 3.5704 3.5707 3.5758 3.5762 5.0272 5.0272 5.0724 5.0724 5.3931 5.3932 5.4106 5.4106 5.8906 5.8907 5.9286 5.9288 6.4761 6.4762 6.5037 6.5038 7.6284 7.6286 k =-0.3288 0.8181 0.8316 ( 2738 PWs) bands (ev): -12.5355 -12.5354 -12.5339 -12.5337 -11.8522 -11.8515 -11.8496 -11.8488 -0.8496 -0.8495 -0.8468 -0.8468 -0.2412 -0.2409 -0.2368 -0.2366 0.8829 0.8830 0.8893 0.8894 1.4678 1.4678 1.4731 1.4731 2.4172 2.4174 2.4188 2.4190 3.5661 3.5664 3.5720 3.5723 5.0387 5.0387 5.0834 5.0834 5.3953 5.3954 5.4145 5.4145 5.8978 5.8979 5.9364 5.9365 6.4441 6.4442 6.4727 6.4728 7.6485 7.6486 k =-0.3337 0.7982 0.8316 ( 2738 PWs) bands (ev): -12.5437 -12.5436 -12.5420 -12.5419 -11.8609 -11.8602 -11.8582 -11.8574 -0.8158 -0.8158 -0.8129 -0.8128 -0.2257 -0.2255 -0.2212 -0.2210 0.8845 0.8846 0.8911 0.8912 1.4543 1.4543 1.4595 1.4595 2.4187 2.4189 2.4205 2.4207 3.5646 3.5649 3.5709 3.5712 5.0513 5.0513 5.0953 5.0953 5.3973 5.3973 5.4184 5.4185 5.9048 5.9050 5.9439 5.9440 6.4131 6.4132 6.4428 6.4429 7.6673 7.6674 k =-0.3386 0.7784 0.8316 ( 2734 PWs) bands (ev): -12.5522 -12.5520 -12.5504 -12.5503 -11.8698 -11.8691 -11.8670 -11.8663 -0.7822 -0.7821 -0.7791 -0.7790 -0.2088 -0.2085 -0.2041 -0.2038 0.8883 0.8884 0.8952 0.8953 1.4396 1.4396 1.4447 1.4448 2.4172 2.4174 2.4194 2.4196 3.5663 3.5665 3.5731 3.5734 5.0645 5.0646 5.1074 5.1074 5.3992 5.3993 5.4227 5.4227 5.9116 5.9117 5.9510 5.9511 6.3832 6.3833 6.4141 6.4142 7.6850 7.6873 k =-0.3435 0.7585 0.8316 ( 2738 PWs) bands (ev): -12.5609 -12.5608 -12.5592 -12.5591 -11.8789 -11.8781 -11.8760 -11.8753 -0.7492 -0.7491 -0.7458 -0.7457 -0.1904 -0.1901 -0.1855 -0.1853 0.8943 0.8944 0.9015 0.9016 1.4241 1.4241 1.4292 1.4292 2.4124 2.4126 2.4152 2.4154 3.5714 3.5716 3.5787 3.5790 5.0777 5.0778 5.1192 5.1193 5.4015 5.4015 5.4275 5.4276 5.9177 5.9178 5.9576 5.9577 6.3547 6.3548 6.3867 6.3868 7.7008 7.7027 k =-0.3483 0.7387 0.8316 ( 2738 PWs) bands (ev): -12.5700 -12.5699 -12.5682 -12.5681 -11.8880 -11.8873 -11.8851 -11.8844 -0.7170 -0.7169 -0.7135 -0.7134 -0.1705 -0.1702 -0.1655 -0.1652 0.9027 0.9028 0.9102 0.9103 1.4083 1.4083 1.4133 1.4133 2.4041 2.4043 2.4076 2.4077 3.5801 3.5804 3.5881 3.5883 5.0903 5.0904 5.1300 5.1301 5.4043 5.4044 5.4334 5.4334 5.9231 5.9232 5.9635 5.9637 6.3278 6.3279 6.3611 6.3612 7.7150 7.7155 k =-0.3532 0.7188 0.8316 ( 2738 PWs) bands (ev): -12.5793 -12.5792 -12.5774 -12.5773 -11.8973 -11.8966 -11.8943 -11.8936 -0.6860 -0.6859 -0.6823 -0.6823 -0.1491 -0.1489 -0.1440 -0.1438 0.9134 0.9134 0.9212 0.9212 1.3927 1.3927 1.3977 1.3977 2.3922 2.3924 2.3963 2.3965 3.5927 3.5929 3.6012 3.6014 5.1016 5.1017 5.1393 5.1394 5.4081 5.4082 5.4405 5.4406 5.9275 5.9276 5.9687 5.9688 6.3030 6.3031 6.3374 6.3375 7.7279 7.7290 k =-0.3581 0.6990 0.8316 ( 2746 PWs) bands (ev): -12.5887 -12.5886 -12.5869 -12.5868 -11.9066 -11.9058 -11.9036 -11.9029 -0.6565 -0.6564 -0.6527 -0.6526 -0.1264 -0.1262 -0.1213 -0.1210 0.9260 0.9261 0.9341 0.9341 1.3780 1.3781 1.3830 1.3830 2.3767 2.3768 2.3814 2.3816 3.6090 3.6092 3.6181 3.6182 5.1110 5.1111 5.1466 5.1466 5.4131 5.4132 5.4491 5.4492 5.9308 5.9309 5.9728 5.9729 6.2804 6.2805 6.3159 6.3161 7.7383 7.7390 k =-0.3630 0.6791 0.8316 ( 2738 PWs) bands (ev): -12.5984 -12.5983 -12.5965 -12.5964 -11.9158 -11.9151 -11.9129 -11.9121 -0.6286 -0.6286 -0.6248 -0.6248 -0.1025 -0.1022 -0.0972 -0.0970 0.9403 0.9403 0.9486 0.9486 1.3652 1.3652 1.3701 1.3701 2.3576 2.3577 2.3630 2.3631 3.6289 3.6291 3.6386 3.6387 5.1180 5.1181 5.1514 5.1515 5.4195 5.4197 5.4591 5.4592 5.9328 5.9329 5.9758 5.9759 6.2607 6.2609 6.2973 6.2974 7.7468 7.7475 k =-0.3679 0.6593 0.8316 ( 2742 PWs) bands (ev): -12.6081 -12.6080 -12.6063 -12.6062 -11.9251 -11.9244 -11.9221 -11.9214 -0.6027 -0.6027 -0.5989 -0.5988 -0.0774 -0.0772 -0.0722 -0.0719 0.9555 0.9555 0.9639 0.9640 1.3552 1.3552 1.3600 1.3600 2.3352 2.3353 2.3411 2.3412 3.6522 3.6523 3.6624 3.6625 5.1222 5.1224 5.1537 5.1538 5.4272 5.4273 5.4703 5.4704 5.9333 5.9334 5.9775 5.9776 6.2442 6.2443 6.2816 6.2817 7.7531 7.7539 k =-0.3728 0.6394 0.8316 ( 2742 PWs) bands (ev): -12.6180 -12.6179 -12.6161 -12.6160 -11.9343 -11.9336 -11.9313 -11.9306 -0.5789 -0.5788 -0.5750 -0.5749 -0.0514 -0.0511 -0.0461 -0.0459 0.9706 0.9706 0.9790 0.9791 1.3494 1.3494 1.3540 1.3540 2.3096 2.3097 2.3161 2.3161 3.6785 3.6786 3.6892 3.6894 5.1235 5.1237 5.1533 5.1535 5.4359 5.4361 5.4823 5.4825 5.9323 5.9324 5.9779 5.9780 6.2314 6.2316 6.2694 6.2696 7.7575 7.7590 k =-0.3777 0.6196 0.8316 ( 2742 PWs) bands (ev): -12.6279 -12.6278 -12.6260 -12.6259 -11.9433 -11.9426 -11.9404 -11.9397 -0.5571 -0.5570 -0.5532 -0.5532 -0.0245 -0.0243 -0.0193 -0.0190 0.9844 0.9844 0.9926 0.9927 1.3493 1.3494 1.3536 1.3537 2.2812 2.2812 2.2881 2.2881 3.7074 3.7076 3.7188 3.7189 5.1220 5.1222 5.1506 5.1507 5.4452 5.4454 5.4944 5.4946 5.9297 5.9298 5.9769 5.9770 6.2227 6.2229 6.2611 6.2613 7.7594 7.7598 k =-0.3826 0.5997 0.8316 ( 2744 PWs) bands (ev): -12.6378 -12.6377 -12.6360 -12.6359 -11.9523 -11.9516 -11.9494 -11.9486 -0.5374 -0.5374 -0.5336 -0.5336 0.0031 0.0033 0.0083 0.0085 0.9953 0.9954 1.0032 1.0032 1.3565 1.3566 1.3604 1.3605 2.2502 2.2503 2.2576 2.2576 3.7386 3.7387 3.7505 3.7506 5.1178 5.1179 5.1456 5.1457 5.4544 5.4547 5.5060 5.5062 5.9257 5.9257 5.9744 5.9745 6.2184 6.2185 6.2569 6.2571 7.7593 7.7602 k =-0.3875 0.5799 0.8316 ( 2748 PWs) bands (ev): -12.6476 -12.6476 -12.6459 -12.6458 -11.9610 -11.9603 -11.9582 -11.9575 -0.5199 -0.5199 -0.5162 -0.5162 0.0312 0.0314 0.0364 0.0366 1.0024 1.0025 1.0097 1.0097 1.3721 1.3721 1.3755 1.3755 2.2170 2.2171 2.2248 2.2248 3.7716 3.7717 3.7840 3.7841 5.1111 5.1113 5.1387 5.1388 5.4632 5.4634 5.5163 5.5166 5.9204 5.9205 5.9707 5.9707 6.2187 6.2188 6.2571 6.2573 7.7556 7.7563 k =-0.3924 0.5600 0.8316 ( 2752 PWs) bands (ev): -12.6575 -12.6574 -12.6557 -12.6556 -11.9696 -11.9689 -11.9668 -11.9661 -0.5045 -0.5044 -0.5009 -0.5008 0.0597 0.0599 0.0649 0.0651 1.0051 1.0052 1.0116 1.0117 1.3963 1.3964 1.3993 1.3994 2.1820 2.1820 2.1901 2.1902 3.8059 3.8060 3.8189 3.8190 5.1024 5.1026 5.1302 5.1303 5.4707 5.4709 5.5248 5.5250 5.9141 5.9142 5.9657 5.9658 6.2235 6.2236 6.2618 6.2619 7.7497 7.7506 k =-0.3973 0.5401 0.8316 ( 2752 PWs) bands (ev): -12.6672 -12.6671 -12.6655 -12.6654 -11.9779 -11.9772 -11.9752 -11.9745 -0.4910 -0.4910 -0.4875 -0.4875 0.0886 0.0888 0.0937 0.0939 1.0037 1.0038 1.0095 1.0095 1.4286 1.4287 1.4315 1.4316 2.1455 2.1455 2.1541 2.1541 3.8410 3.8411 3.8546 3.8547 5.0920 5.0922 5.1203 5.1204 5.4767 5.4770 5.5311 5.5313 5.9071 5.9071 5.9596 5.9597 6.2330 6.2331 6.2709 6.2711 7.7410 7.7421 k =-0.4022 0.5203 0.8316 ( 2748 PWs) bands (ev): -12.6767 -12.6766 -12.6751 -12.6750 -11.9860 -11.9853 -11.9834 -11.9827 -0.4794 -0.4794 -0.4761 -0.4761 0.1178 0.1180 0.1228 0.1230 0.9989 0.9990 1.0040 1.0041 1.4676 1.4677 1.4710 1.4711 2.1080 2.1080 2.1171 2.1172 3.8764 3.8765 3.8907 3.8907 5.0803 5.0804 5.1093 5.1094 5.4810 5.4812 5.5349 5.5352 5.8994 5.8994 5.9526 5.9527 6.2470 6.2471 6.2845 6.2846 7.7295 7.7312 k =-0.4070 0.5004 0.8316 ( 2752 PWs) bands (ev): -12.6861 -12.6860 -12.6845 -12.6844 -11.9939 -11.9932 -11.9913 -11.9906 -0.4696 -0.4695 -0.4664 -0.4664 0.1471 0.1472 0.1521 0.1523 0.9917 0.9918 0.9963 0.9964 1.5118 1.5119 1.5160 1.5161 2.0700 2.0701 2.0799 2.0800 3.9117 3.9118 3.9265 3.9266 5.0676 5.0677 5.0976 5.0977 5.4833 5.4836 5.5363 5.5366 5.8909 5.8910 5.9445 5.9446 6.2652 6.2653 6.3022 6.3023 7.7149 7.7167 k =-0.4119 0.4806 0.8316 ( 2752 PWs) bands (ev): -12.6952 -12.6952 -12.6937 -12.6937 -12.0014 -12.0007 -11.9989 -11.9982 -0.4613 -0.4613 -0.4584 -0.4583 0.1765 0.1766 0.1815 0.1816 0.9832 0.9833 0.9874 0.9875 1.5593 1.5594 1.5648 1.5649 2.0324 2.0325 2.0434 2.0435 3.9463 3.9464 3.9618 3.9618 5.0542 5.0543 5.0853 5.0854 5.4838 5.4841 5.5354 5.5357 5.8817 5.8818 5.9354 5.9355 6.2874 6.2876 6.3238 6.3240 7.6976 7.6981 k =-0.4168 0.4607 0.8316 ( 2744 PWs) bands (ev): -12.7041 -12.7041 -12.7027 -12.7026 -12.0086 -12.0079 -12.0062 -12.0055 -0.4546 -0.4546 -0.4518 -0.4518 0.2058 0.2060 0.2108 0.2110 0.9741 0.9742 0.9780 0.9781 1.6076 1.6077 1.6151 1.6152 1.9966 1.9967 2.0092 2.0094 3.9798 3.9799 3.9958 3.9959 5.0407 5.0409 5.0729 5.0730 5.4826 5.4829 5.5327 5.5330 5.8716 5.8717 5.9252 5.9253 6.3133 6.3134 6.3491 6.3493 7.6783 7.6792 k =-0.4217 0.4409 0.8316 ( 2744 PWs) bands (ev): -12.7127 -12.7127 -12.7114 -12.7113 -12.0155 -12.0148 -12.0132 -12.0125 -0.4492 -0.4492 -0.4466 -0.4466 0.2351 0.2352 0.2400 0.2401 0.9652 0.9653 0.9689 0.9690 1.6528 1.6530 1.6633 1.6634 1.9653 1.9654 1.9805 1.9806 4.0115 4.0116 4.0281 4.0281 5.0275 5.0276 5.0607 5.0608 5.4801 5.4804 5.5285 5.5288 5.8604 5.8605 5.9138 5.9139 6.3423 6.3424 6.3775 6.3777 7.6571 7.6574 k =-0.4266 0.4210 0.8316 ( 2760 PWs) bands (ev): -12.7210 -12.7209 -12.7197 -12.7196 -12.0221 -12.0214 -12.0199 -12.0192 -0.4450 -0.4450 -0.4426 -0.4426 0.2640 0.2641 0.2689 0.2690 0.9569 0.9570 0.9605 0.9606 1.6886 1.6887 1.7027 1.7029 1.9444 1.9446 1.9628 1.9630 4.0410 4.0411 4.0580 4.0581 5.0149 5.0150 5.0489 5.0490 5.4765 5.4768 5.5234 5.5236 5.8479 5.8479 5.9010 5.9012 6.3739 6.3740 6.4086 6.4087 7.6338 7.6341 k =-0.4315 0.4012 0.8316 ( 2756 PWs) bands (ev): -12.7289 -12.7288 -12.7277 -12.7276 -12.0282 -12.0276 -12.0262 -12.0255 -0.4418 -0.4418 -0.4396 -0.4396 0.2924 0.2925 0.2973 0.2974 0.9499 0.9500 0.9534 0.9535 1.7061 1.7062 1.7226 1.7227 1.9442 1.9445 1.9645 1.9648 4.0677 4.0678 4.0851 4.0852 5.0036 5.0037 5.0382 5.0383 5.4723 5.4726 5.5179 5.5181 5.8341 5.8342 5.8871 5.8872 6.4077 6.4079 6.4420 6.4421 7.6096 7.6097 k =-0.4364 0.3813 0.8316 ( 2756 PWs) bands (ev): -12.7364 -12.7363 -12.7353 -12.7352 -12.0340 -12.0334 -12.0321 -12.0315 -0.4395 -0.4395 -0.4375 -0.4375 0.3202 0.3203 0.3249 0.3250 0.9446 0.9447 0.9480 0.9480 1.7009 1.7010 1.7165 1.7166 1.9704 1.9707 1.9894 1.9897 4.0913 4.0914 4.1087 4.1089 4.9939 4.9940 5.0288 5.0289 5.4679 5.4682 5.5123 5.5126 5.8189 5.8190 5.8717 5.8718 6.4432 6.4434 6.4770 6.4772 7.5847 7.5849 k =-0.4413 0.3615 0.8316 ( 2748 PWs) bands (ev): -12.7435 -12.7434 -12.7424 -12.7423 -12.0395 -12.0388 -12.0377 -12.0370 -0.4380 -0.4380 -0.4362 -0.4361 0.3470 0.3471 0.3516 0.3517 0.9413 0.9414 0.9446 0.9447 1.6783 1.6784 1.6916 1.6917 2.0154 2.0156 2.0316 2.0318 4.1112 4.1113 4.1285 4.1287 4.9864 4.9864 5.0211 5.0212 5.4636 5.4639 5.5073 5.5075 5.8023 5.8024 5.8550 5.8551 6.4800 6.4801 6.5133 6.5135 7.5597 7.5598 k =-0.4462 0.3416 0.8316 ( 2756 PWs) bands (ev): -12.7501 -12.7500 -12.7491 -12.7491 -12.0445 -12.0438 -12.0428 -12.0422 -0.4371 -0.4371 -0.4355 -0.4354 0.3725 0.3726 0.3770 0.3771 0.9405 0.9405 0.9437 0.9438 1.6459 1.6460 1.6572 1.6573 2.0691 2.0693 2.0828 2.0830 4.1271 4.1273 4.1441 4.1443 4.9812 4.9813 5.0153 5.0154 5.4597 5.4599 5.5029 5.5031 5.7843 5.7844 5.8369 5.8371 6.5172 6.5173 6.5502 6.5503 7.5347 7.5348 k =-0.4511 0.3217 0.8316 ( 2760 PWs) bands (ev): -12.7562 -12.7562 -12.7553 -12.7553 -12.0491 -12.0484 -12.0476 -12.0469 -0.4367 -0.4367 -0.4353 -0.4352 0.3965 0.3966 0.4008 0.4009 0.9424 0.9425 0.9456 0.9457 1.6086 1.6086 1.6183 1.6184 2.1260 2.1262 2.1377 2.1379 4.1390 4.1391 4.1553 4.1555 4.9788 4.9788 5.0117 5.0117 5.4565 5.4567 5.4995 5.4998 5.7650 5.7652 5.8176 5.8178 6.5546 6.5547 6.5870 6.5871 7.5103 7.5104 k =-0.4560 0.3019 0.8316 ( 2748 PWs) bands (ev): -12.7619 -12.7618 -12.7610 -12.7610 -12.0533 -12.0526 -12.0519 -12.0512 -0.4367 -0.4367 -0.4354 -0.4354 0.4186 0.4188 0.4227 0.4228 0.9475 0.9475 0.9506 0.9507 1.5688 1.5688 1.5774 1.5774 2.1831 2.1833 2.1933 2.1935 4.1468 4.1470 4.1621 4.1623 4.9791 4.9791 5.0102 5.0103 5.4544 5.4547 5.4976 5.4979 5.7447 5.7449 5.7973 5.7974 6.5915 6.5916 6.6233 6.6235 7.4872 7.4873 k =-0.4609 0.2820 0.8316 ( 2752 PWs) bands (ev): -12.7669 -12.7669 -12.7662 -12.7662 -12.0570 -12.0564 -12.0558 -12.0551 -0.4370 -0.4370 -0.4358 -0.4358 0.4386 0.4387 0.4424 0.4425 0.9557 0.9558 0.9588 0.9589 1.5278 1.5278 1.5355 1.5356 2.2386 2.2388 2.2474 2.2477 4.1509 4.1511 4.1649 4.1651 4.9819 4.9819 5.0107 5.0108 5.4536 5.4539 5.4971 5.4974 5.7235 5.7237 5.7759 5.7761 6.6275 6.6276 6.6584 6.6585 7.4654 7.4655 k =-0.4658 0.2622 0.8316 ( 2752 PWs) bands (ev): -12.7715 -12.7714 -12.7708 -12.7708 -12.0604 -12.0597 -12.0593 -12.0586 -0.4374 -0.4374 -0.4364 -0.4364 0.4562 0.4563 0.4596 0.4597 0.9673 0.9674 0.9703 0.9704 1.4867 1.4867 1.4937 1.4937 2.2911 2.2913 2.2988 2.2990 4.1517 4.1519 4.1642 4.1644 4.9868 4.9868 5.0129 5.0129 5.4545 5.4547 5.4983 5.4986 5.7018 5.7020 5.7539 5.7541 6.6619 6.6620 6.6915 6.6916 7.4457 7.4458 k =-0.4706 0.2423 0.8316 ( 2752 PWs) bands (ev): -12.7754 -12.7754 -12.7749 -12.7748 -12.0632 -12.0626 -12.0623 -12.0617 -0.4380 -0.4380 -0.4372 -0.4371 0.4714 0.4715 0.4744 0.4745 0.9821 0.9822 0.9850 0.9851 1.4461 1.4461 1.4524 1.4524 2.3394 2.3397 2.3460 2.3463 4.1499 4.1501 4.1607 4.1609 4.9933 4.9933 5.0162 5.0163 5.4571 5.4573 5.5012 5.5014 5.6800 5.6802 5.7313 5.7315 6.6942 6.6943 6.7219 6.7220 7.4282 7.4283 k =-0.4755 0.2225 0.8316 ( 2748 PWs) bands (ev): -12.7788 -12.7788 -12.7784 -12.7783 -12.0657 -12.0650 -12.0649 -12.0642 -0.4386 -0.4385 -0.4379 -0.4378 0.4840 0.4841 0.4865 0.4866 0.9998 0.9998 1.0025 1.0026 1.4066 1.4066 1.4123 1.4124 2.3826 2.3829 2.3881 2.3884 4.1463 4.1465 4.1553 4.1555 5.0007 5.0007 5.0202 5.0202 5.4617 5.4619 5.5056 5.5058 5.6587 5.6589 5.7087 5.7089 6.7237 6.7238 6.7489 6.7490 7.4135 7.4136 k =-0.4804 0.2026 0.8316 ( 2752 PWs) bands (ev): -12.7816 -12.7815 -12.7812 -12.7812 -12.0677 -12.0670 -12.0670 -12.0664 -0.4391 -0.4391 -0.4386 -0.4385 0.4940 0.4941 0.4961 0.4962 1.0195 1.0195 1.0221 1.0222 1.3692 1.3692 1.3743 1.3743 2.4197 2.4199 2.4241 2.4244 4.1418 4.1420 4.1490 4.1493 5.0083 5.0084 5.0241 5.0241 5.4683 5.4686 5.5110 5.5113 5.6387 5.6389 5.6864 5.6866 6.7498 6.7499 6.7716 6.7717 7.4017 7.4018 k =-0.4853 0.1828 0.8316 ( 2760 PWs) bands (ev): -12.7837 -12.7837 -12.7835 -12.7834 -12.0692 -12.0687 -12.0685 -12.0681 -0.4396 -0.4396 -0.4392 -0.4392 0.5017 0.5018 0.5033 0.5034 1.0401 1.0402 1.0426 1.0427 1.3351 1.3352 1.3394 1.3395 2.4496 2.4499 2.4530 2.4533 4.1373 4.1376 4.1427 4.1430 5.0155 5.0155 5.0274 5.0274 5.4769 5.4772 5.5162 5.5165 5.6218 5.6220 5.6648 5.6650 6.7719 6.7720 6.7893 6.7894 7.3933 7.3933 k =-0.4902 0.1629 0.8316 ( 2764 PWs) bands (ev): -12.7853 -12.7852 -12.7851 -12.7850 -12.0703 -12.0700 -12.0696 -12.0693 -0.4400 -0.4399 -0.4397 -0.4396 0.5071 0.5072 0.5082 0.5083 1.0596 1.0597 1.0616 1.0617 1.3064 1.3065 1.3097 1.3098 2.4718 2.4721 2.4741 2.4743 4.1337 4.1340 4.1373 4.1376 5.0216 5.0217 5.0296 5.0296 5.4872 5.4875 5.5191 5.5193 5.6105 5.6107 5.6448 5.6451 6.7892 6.7893 6.8015 6.8015 7.3882 7.3883 k =-0.4951 0.1431 0.8316 ( 2760 PWs) bands (ev): -12.7862 -12.7861 -12.7861 -12.7860 -12.0709 -12.0707 -12.0702 -12.0701 -0.4401 -0.4401 -0.4400 -0.4400 0.5104 0.5105 0.5110 0.5111 1.0746 1.0748 1.0759 1.0760 1.2866 1.2867 1.2885 1.2886 2.4856 2.4859 2.4868 2.4870 4.1316 4.1319 4.1334 4.1337 5.0263 5.0263 5.0303 5.0303 5.4986 5.4988 5.5170 5.5172 5.6078 5.6080 5.6275 5.6277 6.8013 6.8014 6.8076 6.8077 7.3867 7.3868 k =-0.5000 0.1232 0.8316 ( 2756 PWs) bands (ev): -12.7865 -12.7865 -12.7864 -12.7864 -12.0710 -12.0710 -12.0704 -12.0704 -0.4402 -0.4402 -0.4401 -0.4401 0.5117 0.5117 0.5119 0.5119 1.0809 1.0809 1.0811 1.0811 1.2799 1.2799 1.2800 1.2800 2.4906 2.4906 2.4910 2.4910 4.1314 4.1314 4.1318 4.1318 5.0292 5.0292 5.0293 5.0293 5.5093 5.5093 5.5095 5.5095 5.6142 5.6142 5.6145 5.6145 6.8075 6.8075 6.8076 6.8076 7.3886 7.3887 k =-0.5000 0.1232 0.8316 ( 2756 PWs) bands (ev): -12.7865 -12.7865 -12.7864 -12.7864 -12.0710 -12.0710 -12.0704 -12.0704 -0.4402 -0.4402 -0.4401 -0.4401 0.5117 0.5117 0.5119 0.5119 1.0809 1.0809 1.0811 1.0811 1.2799 1.2799 1.2800 1.2800 2.4906 2.4906 2.4910 2.4910 4.1314 4.1314 4.1318 4.1318 5.0292 5.0292 5.0293 5.0293 5.5093 5.5093 5.5095 5.5095 5.6142 5.6142 5.6145 5.6145 6.8075 6.8075 6.8076 6.8076 7.3886 7.3887 k =-0.5000 0.1232 0.8114 ( 2758 PWs) bands (ev): -12.8139 -12.8139 -12.7594 -12.7594 -12.0867 -12.0867 -12.0548 -12.0548 -0.4886 -0.4886 -0.3884 -0.3884 0.5035 0.5035 0.5201 0.5201 1.0810 1.0811 1.0827 1.0827 1.2699 1.2699 1.2903 1.2903 2.4730 2.4730 2.5093 2.5093 4.1128 4.1128 4.1492 4.1492 5.0177 5.0177 5.0400 5.0400 5.5048 5.5048 5.5126 5.5127 5.6121 5.6122 5.6151 5.6151 6.7643 6.7643 6.8517 6.8517 7.3848 7.3849 k =-0.5000 0.1232 0.7911 ( 2760 PWs) bands (ev): -12.8418 -12.8418 -12.7328 -12.7328 -12.1029 -12.1029 -12.0390 -12.0390 -0.5336 -0.5336 -0.3335 -0.3335 0.4952 0.4952 0.5286 0.5286 1.0829 1.0829 1.0863 1.0863 1.2603 1.2603 1.3010 1.3010 2.4559 2.4559 2.5286 2.5286 4.0930 4.0930 4.1656 4.1656 5.0054 5.0054 5.0499 5.0499 5.4989 5.4989 5.5145 5.5145 5.6085 5.6085 5.6143 5.6143 6.7220 6.7220 6.8966 6.8966 7.3806 7.3806 k =-0.5000 0.1232 0.7708 ( 2756 PWs) bands (ev): -12.8699 -12.8699 -12.7067 -12.7067 -12.1191 -12.1191 -12.0234 -12.0234 -0.5752 -0.5752 -0.2755 -0.2755 0.4868 0.4868 0.5373 0.5373 1.0866 1.0866 1.0916 1.0916 1.2510 1.2510 1.3120 1.3120 2.4396 2.4396 2.5487 2.5487 4.0723 4.0723 4.1805 4.1805 4.9923 4.9923 5.0591 5.0591 5.4918 5.4919 5.5149 5.5149 5.6036 5.6037 5.6119 5.6120 6.6808 6.6808 6.9421 6.9421 7.3758 7.3758 k =-0.5000 0.1232 0.7505 ( 2756 PWs) bands (ev): -12.8984 -12.8984 -12.6813 -12.6813 -12.1353 -12.1353 -12.0079 -12.0079 -0.6133 -0.6133 -0.2145 -0.2145 0.4783 0.4783 0.5463 0.5463 1.0920 1.0921 1.0987 1.0987 1.2422 1.2422 1.3233 1.3233 2.4239 2.4239 2.5696 2.5696 4.0506 4.0506 4.1937 4.1937 4.9785 4.9785 5.0675 5.0675 5.4836 5.4836 5.5138 5.5138 5.5977 5.5978 5.6081 5.6082 6.6405 6.6405 6.9881 6.9881 7.3705 7.3705 k =-0.5000 0.1232 0.7302 ( 2760 PWs) bands (ev): -12.9270 -12.9270 -12.6564 -12.6564 -12.1515 -12.1515 -11.9927 -11.9927 -0.6478 -0.6478 -0.1508 -0.1508 0.4696 0.4696 0.5556 0.5556 1.0993 1.0993 1.1076 1.1076 1.2337 1.2337 1.3347 1.3347 2.4089 2.4089 2.5913 2.5913 4.0282 4.0282 4.2049 4.2049 4.9640 4.9640 5.0752 5.0752 5.4741 5.4742 5.5112 5.5113 5.5909 5.5910 5.6028 5.6029 6.6012 6.6012 7.0343 7.0343 7.3648 7.3648 k =-0.5000 0.1232 0.7099 ( 2752 PWs) bands (ev): -12.9558 -12.9558 -12.6323 -12.6323 -12.1677 -12.1677 -11.9777 -11.9777 -0.6788 -0.6788 -0.0846 -0.0846 0.4608 0.4608 0.5655 0.5655 1.1085 1.1085 1.1182 1.1182 1.2257 1.2257 1.3464 1.3464 2.3945 2.3945 2.6138 2.6138 4.0049 4.0049 4.2140 4.2140 4.9491 4.9491 5.0823 5.0823 5.4637 5.4637 5.5072 5.5072 5.5837 5.5838 5.5962 5.5963 6.5629 6.5629 7.0804 7.0804 7.3587 7.3587 k =-0.5000 0.1232 0.6897 ( 2744 PWs) bands (ev): -12.9846 -12.9846 -12.6088 -12.6088 -12.1838 -12.1838 -11.9630 -11.9630 -0.7061 -0.7061 -0.0161 -0.0161 0.4517 0.4517 0.5760 0.5760 1.1195 1.1195 1.1306 1.1306 1.2181 1.2181 1.3582 1.3582 2.3808 2.3808 2.6371 2.6371 3.9808 3.9808 4.2205 4.2205 4.9339 4.9339 5.0887 5.0887 5.4523 5.4524 5.5018 5.5018 5.5761 5.5762 5.5883 5.5884 6.5254 6.5254 7.1260 7.1260 7.3523 7.3523 k =-0.5000 0.1232 0.6694 ( 2744 PWs) bands (ev): -13.0135 -13.0135 -12.5861 -12.5861 -12.1998 -12.1998 -11.9485 -11.9485 -0.7299 -0.7299 0.0541 0.0541 0.4424 0.4424 0.5873 0.5873 1.1325 1.1325 1.1445 1.1445 1.2109 1.2109 1.3702 1.3702 2.3677 2.3677 2.6613 2.6613 3.9560 3.9560 4.2240 4.2240 4.9187 4.9187 5.0944 5.0944 5.4401 5.4401 5.4948 5.4948 5.5683 5.5684 5.5795 5.5796 6.4888 6.4888 7.1708 7.1708 7.3456 7.3456 k =-0.5000 0.1232 0.6491 ( 2744 PWs) bands (ev): -13.0423 -13.0423 -12.5641 -12.5641 -12.2157 -12.2157 -11.9343 -11.9343 -0.7501 -0.7501 0.1258 0.1258 0.4328 0.4328 0.5996 0.5996 1.1474 1.1474 1.1601 1.1601 1.2042 1.2042 1.3822 1.3822 2.3552 2.3552 2.6864 2.6864 3.9304 3.9304 4.2242 4.2242 4.9037 4.9037 5.0995 5.0995 5.4271 5.4271 5.4863 5.4863 5.5607 5.5608 5.5698 5.5699 6.4527 6.4527 7.2144 7.2144 7.3386 7.3386 k =-0.5000 0.1232 0.6288 ( 2744 PWs) bands (ev): -13.0710 -13.0710 -12.5430 -12.5430 -12.2314 -12.2314 -11.9204 -11.9204 -0.7668 -0.7668 0.1982 0.1982 0.4230 0.4230 0.6135 0.6135 1.1644 1.1644 1.1771 1.1771 1.1980 1.1980 1.3944 1.3944 2.3433 2.3433 2.7123 2.7123 3.9041 3.9041 4.2207 4.2207 4.8892 4.8892 5.1040 5.1040 5.4133 5.4133 5.4763 5.4763 5.5532 5.5533 5.5599 5.5601 6.4173 6.4173 7.2561 7.2561 7.3315 7.3315 k =-0.5000 0.1232 0.6085 ( 2738 PWs) bands (ev): -13.0995 -13.0995 -12.5228 -12.5228 -12.2469 -12.2469 -11.9068 -11.9068 -0.7800 -0.7800 0.2703 0.2703 0.4128 0.4128 0.6294 0.6294 1.1831 1.1831 1.1924 1.1924 1.1960 1.1960 1.4065 1.4065 2.3321 2.3321 2.7391 2.7391 3.8769 3.8769 4.2131 4.2131 4.8757 4.8757 5.1080 5.1080 5.3988 5.3989 5.4647 5.4647 5.5447 5.5449 5.5516 5.5518 6.3824 6.3824 7.2949 7.2949 7.3247 7.3248 k =-0.5000 0.1232 0.5882 ( 2738 PWs) bands (ev): -13.1278 -13.1278 -12.5034 -12.5034 -12.2621 -12.2621 -11.8936 -11.8936 -0.7897 -0.7897 0.3407 0.3407 0.4025 0.4025 0.6484 0.6484 1.1859 1.1859 1.2064 1.2064 1.2155 1.2155 1.4186 1.4186 2.3213 2.3214 2.7669 2.7669 3.8490 3.8491 4.2010 4.2010 4.8633 4.8633 5.1114 5.1114 5.3838 5.3838 5.4513 5.4513 5.5342 5.5343 5.5464 5.5466 6.3480 6.3480 7.3143 7.3143 7.3336 7.3336 k =-0.5000 0.1232 0.5680 ( 2734 PWs) bands (ev): -13.1558 -13.1558 -12.4851 -12.4851 -12.2769 -12.2769 -11.8807 -11.8807 -0.7960 -0.7960 0.3910 0.3910 0.4080 0.4080 0.6723 0.6723 1.1811 1.1811 1.2308 1.2308 1.2366 1.2366 1.4306 1.4306 2.3112 2.3112 2.7955 2.7955 3.8204 3.8204 4.1844 4.1844 4.8522 4.8522 5.1143 5.1143 5.3683 5.3683 5.4360 5.4360 5.5228 5.5228 5.5438 5.5439 6.3139 6.3139 7.3079 7.3079 7.3618 7.3619 k =-0.5000 0.1232 0.5477 ( 2738 PWs) bands (ev): -13.1834 -13.1834 -12.4678 -12.4678 -12.2913 -12.2913 -11.8682 -11.8682 -0.7990 -0.7990 0.3805 0.3805 0.4672 0.4672 0.7034 0.7034 1.1765 1.1765 1.2578 1.2579 1.2594 1.2595 1.4425 1.4425 2.3016 2.3016 2.8250 2.8250 3.7909 3.7909 4.1631 4.1631 4.8427 4.8427 5.1166 5.1166 5.3524 5.3524 5.4188 5.4189 5.5110 5.5111 5.5433 5.5434 6.2803 6.2803 7.3005 7.3005 7.3755 7.3755 k =-0.5000 0.1232 0.5274 ( 2740 PWs) bands (ev): -13.2106 -13.2106 -12.4516 -12.4516 -12.3050 -12.3050 -11.8561 -11.8561 -0.7987 -0.7987 0.3693 0.3693 0.5168 0.5168 0.7443 0.7443 1.1723 1.1723 1.2817 1.2817 1.2901 1.2901 1.4543 1.4543 2.2925 2.2926 2.8555 2.8555 3.7607 3.7607 4.1374 4.1374 4.8347 4.8347 5.1185 5.1185 5.3361 5.3361 5.3997 5.3998 5.4994 5.4994 5.5452 5.5453 6.2471 6.2471 7.2930 7.2930 7.3749 7.3749 k =-0.5000 0.1232 0.5071 ( 2744 PWs) bands (ev): -13.2373 -13.2373 -12.4370 -12.4370 -12.3178 -12.3178 -11.8443 -11.8443 -0.7954 -0.7954 0.3577 0.3577 0.5553 0.5553 0.7951 0.7951 1.1684 1.1684 1.3057 1.3057 1.3255 1.3255 1.4659 1.4659 2.2840 2.2840 2.8867 2.8868 3.7297 3.7297 4.1074 4.1074 4.8281 4.8281 5.1199 5.1199 5.3195 5.3195 5.3787 5.3787 5.4881 5.4881 5.5494 5.5495 6.2143 6.2143 7.2855 7.2855 7.3655 7.3655 k =-0.5000 0.1232 0.4868 ( 2744 PWs) bands (ev): -13.2634 -13.2634 -12.4242 -12.4242 -12.3293 -12.3293 -11.8330 -11.8330 -0.7890 -0.7890 0.3459 0.3459 0.5844 0.5844 0.8532 0.8532 1.1650 1.1650 1.3305 1.3305 1.3656 1.3656 1.4773 1.4773 2.2760 2.2760 2.9189 2.9189 3.6980 3.6980 4.0736 4.0736 4.8228 4.8228 5.1208 5.1208 5.3027 5.3027 5.3559 5.3559 5.4773 5.4773 5.5560 5.5560 6.1820 6.1820 7.2781 7.2781 7.3437 7.3438 k =-0.5000 0.1232 0.4665 ( 2744 PWs) bands (ev): -13.2890 -13.2890 -12.4142 -12.4142 -12.3384 -12.3384 -11.8221 -11.8220 -0.7797 -0.7797 0.3338 0.3338 0.6070 0.6070 0.9150 0.9150 1.1618 1.1618 1.3558 1.3558 1.4111 1.4111 1.4885 1.4885 2.2685 2.2686 2.9519 2.9519 3.6655 3.6655 4.0363 4.0363 4.8186 4.8186 5.1212 5.1212 5.2858 5.2859 5.3313 5.3314 5.4673 5.4673 5.5648 5.5648 6.1504 6.1504 7.2709 7.2709 7.3164 7.3165 k =-0.5000 0.1232 0.4462 ( 2748 PWs) bands (ev): -13.3139 -13.3139 -12.4085 -12.4085 -12.3437 -12.3437 -11.8115 -11.8115 -0.7676 -0.7676 0.3215 0.3215 0.6253 0.6253 0.9770 0.9770 1.1590 1.1590 1.3815 1.3815 1.4625 1.4625 1.4994 1.4994 2.2615 2.2616 2.9857 2.9857 3.6323 3.6323 3.9962 3.9962 4.8153 4.8153 5.1211 5.1211 5.2689 5.2689 5.3051 5.3051 5.4581 5.4581 5.5758 5.5758 6.1195 6.1195 7.2639 7.2639 7.2877 7.2877 k =-0.5000 0.1232 0.4260 ( 2752 PWs) bands (ev): -13.3381 -13.3381 -12.4084 -12.4084 -12.3438 -12.3438 -11.8014 -11.8014 -0.7529 -0.7529 0.3089 0.3089 0.6408 0.6408 1.0371 1.0371 1.1565 1.1565 1.4076 1.4076 1.5099 1.5099 1.5202 1.5202 2.2550 2.2550 3.0202 3.0203 3.5985 3.5985 3.9536 3.9536 4.8125 4.8125 5.1206 5.1206 5.2518 5.2519 5.2774 5.2774 5.4501 5.4501 5.5889 5.5889 6.0894 6.0894 7.2562 7.2562 7.2590 7.2590 k =-0.5000 0.1232 0.4057 ( 2756 PWs) bands (ev): -13.3616 -13.3616 -12.4133 -12.4133 -12.3393 -12.3393 -11.7918 -11.7918 -0.7357 -0.7357 0.2960 0.2960 0.6545 0.6545 1.0940 1.0940 1.1544 1.1544 1.4337 1.4337 1.5202 1.5202 1.5839 1.5840 2.2490 2.2490 3.0555 3.0555 3.5641 3.5641 3.9093 3.9093 4.8103 4.8103 5.1196 5.1196 5.2345 5.2346 5.2485 5.2486 5.4433 5.4433 5.6037 5.6037 6.0606 6.0606 7.2278 7.2278 7.2508 7.2508 k =-0.5000 0.1232 0.3854 ( 2748 PWs) bands (ev): -13.3842 -13.3842 -12.4211 -12.4211 -12.3322 -12.3322 -11.7826 -11.7826 -0.7161 -0.7161 0.2828 0.2828 0.6669 0.6669 1.1461 1.1461 1.1537 1.1537 1.4598 1.4598 1.5301 1.5301 1.6534 1.6534 2.2434 2.2434 3.0914 3.0914 3.5291 3.5291 3.8636 3.8636 4.8084 4.8084 5.1182 5.1182 5.2140 5.2142 5.2217 5.2219 5.4380 5.4380 5.6201 5.6201 6.0332 6.0332 7.1972 7.1972 7.2445 7.2445 k =-0.5000 0.1232 0.3651 ( 2748 PWs) bands (ev): -13.4060 -13.4060 -12.4303 -12.4303 -12.3241 -12.3241 -11.7738 -11.7738 -0.6944 -0.6944 0.2694 0.2694 0.6782 0.6782 1.1505 1.1505 1.1974 1.1974 1.4856 1.4856 1.5396 1.5396 1.7277 1.7277 2.2382 2.2382 3.1279 3.1279 3.4936 3.4936 3.8172 3.8172 4.8067 4.8067 5.1164 5.1164 5.1841 5.1841 5.2036 5.2037 5.4343 5.4343 5.6374 5.6374 6.0077 6.0077 7.1659 7.1659 7.2385 7.2385 k =-0.5000 0.1232 0.3448 ( 2742 PWs) bands (ev): -13.4268 -13.4268 -12.4400 -12.4400 -12.3156 -12.3156 -11.7655 -11.7655 -0.6708 -0.6708 0.2556 0.2556 0.6887 0.6887 1.1491 1.1491 1.2439 1.2439 1.5111 1.5111 1.5486 1.5486 1.8058 1.8058 2.2335 2.2335 3.1649 3.1649 3.4578 3.4578 3.7704 3.7704 4.8050 4.8050 5.1142 5.1142 5.1515 5.1516 5.1875 5.1875 5.4324 5.4324 5.6550 5.6550 5.9847 5.9847 7.1341 7.1341 7.2329 7.2329 k =-0.5000 0.1232 0.3245 ( 2742 PWs) bands (ev): -13.4467 -13.4467 -12.4497 -12.4497 -12.3074 -12.3074 -11.7576 -11.7576 -0.6454 -0.6454 0.2415 0.2415 0.6984 0.6984 1.1479 1.1479 1.2877 1.2877 1.5360 1.5360 1.5573 1.5573 1.8865 1.8865 2.2291 2.2291 3.2021 3.2022 3.4217 3.4217 3.7237 3.7237 4.8033 4.8033 5.1102 5.1102 5.1191 5.1191 5.1720 5.1720 5.4324 5.4324 5.6720 5.6720 5.9650 5.9650 7.1017 7.1017 7.2276 7.2276 k =-0.5000 0.1232 0.3043 ( 2742 PWs) bands (ev): -13.4656 -13.4656 -12.4592 -12.4592 -12.2995 -12.2995 -11.7502 -11.7502 -0.6185 -0.6185 0.2271 0.2271 0.7075 0.7075 1.1469 1.1469 1.3291 1.3291 1.5600 1.5600 1.5656 1.5656 1.9686 1.9686 2.2252 2.2252 3.2397 3.2397 3.3855 3.3855 3.6777 3.6777 4.8016 4.8016 5.0820 5.0820 5.1097 5.1097 5.1571 5.1571 5.4343 5.4343 5.6872 5.6872 5.9499 5.9499 7.0687 7.0687 7.2226 7.2226 k =-0.5000 0.1232 0.2840 ( 2740 PWs) bands (ev): -13.4835 -13.4835 -12.4684 -12.4684 -12.2921 -12.2921 -11.7433 -11.7433 -0.5902 -0.5902 0.2124 0.2124 0.7160 0.7160 1.1460 1.1460 1.3685 1.3685 1.5731 1.5731 1.5835 1.5835 2.0512 2.0512 2.2216 2.2217 3.2772 3.2772 3.3493 3.3493 3.6326 3.6326 4.7999 4.7999 5.0469 5.0469 5.1063 5.1063 5.1431 5.1431 5.4383 5.4383 5.6990 5.6990 5.9408 5.9408 7.0351 7.0351 7.2180 7.2180 k =-0.5000 0.1232 0.2637 ( 2740 PWs) bands (ev): -13.5003 -13.5003 -12.4771 -12.4771 -12.2852 -12.2852 -11.7368 -11.7368 -0.5609 -0.5609 0.1972 0.1972 0.7238 0.7238 1.1453 1.1453 1.4062 1.4062 1.5804 1.5804 1.6056 1.6056 2.1332 2.1332 2.2185 2.2185 3.3106 3.3106 3.3174 3.3174 3.5890 3.5890 4.7982 4.7982 5.0112 5.0112 5.1025 5.1025 5.1301 5.1301 5.4445 5.4445 5.7060 5.7061 5.9390 5.9390 7.0011 7.0011 7.2082 7.2082 k =-0.5000 0.1232 0.2434 ( 2740 PWs) bands (ev): -13.5160 -13.5160 -12.4854 -12.4854 -12.2788 -12.2788 -11.7308 -11.7308 -0.5307 -0.5307 0.1817 0.1817 0.7310 0.7310 1.1447 1.1447 1.4423 1.4423 1.5872 1.5872 1.6266 1.6266 2.2105 2.2105 2.2189 2.2189 3.2771 3.2771 3.3522 3.3522 3.5471 3.5471 4.7965 4.7965 4.9755 4.9755 5.0980 5.0980 5.1187 5.1187 5.4528 5.4528 5.7075 5.7075 5.9451 5.9452 6.9666 6.9666 7.1557 7.1558 k =-0.5000 0.1232 0.2231 ( 2736 PWs) bands (ev): -13.5306 -13.5306 -12.4931 -12.4931 -12.2730 -12.2730 -11.7253 -11.7253 -0.4999 -0.4999 0.1658 0.1658 0.7377 0.7377 1.1443 1.1443 1.4768 1.4768 1.5934 1.5934 1.6462 1.6462 2.2126 2.2126 2.2928 2.2928 3.2418 3.2418 3.3887 3.3887 3.5075 3.5075 4.7947 4.7948 4.9399 4.9399 5.0919 5.0919 5.1097 5.1097 5.4633 5.4633 5.7038 5.7038 5.9587 5.9587 6.9320 6.9320 7.1001 7.1001 k =-0.5000 0.1232 0.2028 ( 2740 PWs) bands (ev): -13.5440 -13.5440 -12.5002 -12.5002 -12.2677 -12.2677 -11.7202 -11.7202 -0.4688 -0.4688 0.1495 0.1495 0.7438 0.7438 1.1439 1.1439 1.5096 1.5096 1.5992 1.5992 1.6643 1.6643 2.2104 2.2104 2.3682 2.3682 3.2072 3.2072 3.4240 3.4240 3.4707 3.4707 4.7930 4.7930 4.9049 4.9049 5.0838 5.0838 5.1034 5.1034 5.4758 5.4758 5.6964 5.6964 5.9781 5.9782 6.8971 6.8971 7.0427 7.0427 k =-0.5000 0.1232 0.1826 ( 2728 PWs) bands (ev): -13.5562 -13.5562 -12.5067 -12.5067 -12.2630 -12.2630 -11.7156 -11.7156 -0.4377 -0.4377 0.1329 0.1329 0.7493 0.7493 1.1437 1.1437 1.5406 1.5406 1.6044 1.6044 1.6809 1.6809 2.2084 2.2084 2.4401 2.4401 3.1734 3.1734 3.4336 3.4336 3.4612 3.4612 4.7914 4.7914 4.8708 4.8708 5.0750 5.0750 5.0993 5.0993 5.4904 5.4904 5.6868 5.6868 6.0018 6.0018 6.8624 6.8624 6.9846 6.9846 k =-0.5000 0.1232 0.1623 ( 2736 PWs) bands (ev): -13.5672 -13.5672 -12.5126 -12.5126 -12.2588 -12.2588 -11.7115 -11.7115 -0.4070 -0.4070 0.1160 0.1160 0.7543 0.7543 1.1434 1.1434 1.5696 1.5696 1.6091 1.6091 1.6958 1.6958 2.2067 2.2067 2.5078 2.5078 3.1406 3.1406 3.4030 3.4030 3.4932 3.4932 4.7898 4.7898 4.8380 4.8380 5.0662 5.0662 5.0961 5.0961 5.5065 5.5065 5.6761 5.6761 6.0280 6.0280 6.8279 6.8279 6.9268 6.9269 k =-0.5000 0.1232 0.1420 ( 2736 PWs) bands (ev): -13.5770 -13.5770 -12.5179 -12.5179 -12.2551 -12.2551 -11.7079 -11.7079 -0.3770 -0.3770 0.0989 0.0989 0.7586 0.7586 1.1433 1.1433 1.5962 1.5962 1.6133 1.6133 1.7090 1.7090 2.2052 2.2052 2.5709 2.5709 3.1090 3.1090 3.3748 3.3748 3.5242 3.5242 4.7884 4.7884 4.8071 4.8071 5.0580 5.0580 5.0935 5.0935 5.5239 5.5240 5.6654 5.6654 6.0556 6.0556 6.7941 6.7941 6.8707 6.8707 k =-0.5000 0.1232 0.1217 ( 2728 PWs) bands (ev): -13.5855 -13.5855 -12.5224 -12.5224 -12.2519 -12.2519 -11.7048 -11.7048 -0.3481 -0.3481 0.0819 0.0819 0.7624 0.7624 1.1432 1.1432 1.6164 1.6164 1.6207 1.6207 1.7204 1.7204 2.2039 2.2039 2.6288 2.6288 3.0787 3.0787 3.3498 3.3498 3.5529 3.5529 4.7786 4.7786 4.7872 4.7872 5.0508 5.0508 5.0914 5.0914 5.5421 5.5421 5.6552 5.6552 6.0835 6.0835 6.7615 6.7615 6.8175 6.8175 k =-0.5000 0.1232 0.1014 ( 2728 PWs) bands (ev): -13.5927 -13.5927 -12.5263 -12.5263 -12.2493 -12.2493 -11.7021 -11.7021 -0.3210 -0.3210 0.0652 0.0652 0.7657 0.7657 1.1431 1.1431 1.6198 1.6198 1.6416 1.6416 1.7301 1.7301 2.2029 2.2029 2.6812 2.6812 3.0499 3.0499 3.3284 3.3285 3.5786 3.5786 4.7529 4.7529 4.7860 4.7860 5.0445 5.0445 5.0897 5.0897 5.5602 5.5603 5.6462 5.6462 6.1105 6.1105 6.7305 6.7305 6.7688 6.7688 k =-0.5000 0.1232 0.0811 ( 2722 PWs) bands (ev): -13.5986 -13.5986 -12.5295 -12.5295 -12.2471 -12.2471 -11.7000 -11.7000 -0.2963 -0.2963 0.0494 0.0494 0.7683 0.7683 1.1431 1.1431 1.6223 1.6223 1.6595 1.6595 1.7380 1.7380 2.2020 2.2020 2.7279 2.7279 3.0227 3.0227 3.3108 3.3108 3.6008 3.6008 4.7308 4.7308 4.7850 4.7850 5.0392 5.0392 5.0883 5.0883 5.5774 5.5774 5.6385 5.6385 6.1355 6.1355 6.7017 6.7017 6.7264 6.7265 k =-0.5000 0.1232 0.0609 ( 2718 PWs) bands (ev): -13.6032 -13.6032 -12.5320 -12.5320 -12.2454 -12.2454 -11.6983 -11.6983 -0.2750 -0.2750 0.0352 0.0352 0.7704 0.7704 1.1431 1.1431 1.6243 1.6243 1.6738 1.6738 1.7441 1.7441 2.2014 2.2014 2.7685 2.7685 2.9973 2.9973 3.2969 3.2969 3.6188 3.6188 4.7128 4.7128 4.7843 4.7843 5.0351 5.0351 5.0872 5.0872 5.5924 5.5924 5.6326 5.6326 6.1573 6.1573 6.6758 6.6758 6.6924 6.6925 k =-0.5000 0.1232 0.0406 ( 2714 PWs) bands (ev): -13.6065 -13.6065 -12.5338 -12.5338 -12.2442 -12.2442 -11.6971 -11.6971 -0.2583 -0.2583 0.0236 0.0236 0.7718 0.7718 1.1431 1.1431 1.6257 1.6257 1.6843 1.6843 1.7485 1.7485 2.2009 2.2009 2.8021 2.8021 2.9746 2.9746 3.2870 3.2870 3.6321 3.6321 4.6994 4.6994 4.7837 4.7837 5.0321 5.0321 5.0864 5.0864 5.6038 5.6038 5.6286 5.6286 6.1744 6.1744 6.6540 6.6541 6.6686 6.6686 k =-0.5000 0.1232 0.0203 ( 2710 PWs) bands (ev): -13.6085 -13.6085 -12.5349 -12.5349 -12.2435 -12.2435 -11.6963 -11.6963 -0.2474 -0.2474 0.0159 0.0159 0.7727 0.7727 1.1431 1.1431 1.6265 1.6265 1.6906 1.6906 1.7511 1.7511 2.2007 2.2007 2.8263 2.8263 2.9569 2.9569 3.2810 3.2810 3.6403 3.6403 4.6912 4.6912 4.7834 4.7834 5.0303 5.0303 5.0860 5.0860 5.6105 5.6105 5.6268 5.6268 6.1854 6.1854 6.6393 6.6394 6.6545 6.6545 k =-0.5000 0.1232 0.0000 ( 2712 PWs) bands (ev): -13.6092 -13.6092 -12.5352 -12.5352 -12.2433 -12.2433 -11.6961 -11.6961 -0.2436 -0.2436 0.0132 0.0132 0.7730 0.7730 1.1431 1.1431 1.6268 1.6268 1.6928 1.6928 1.7520 1.7520 2.2006 2.2006 2.8358 2.8358 2.9496 2.9496 3.2791 3.2791 3.6431 3.6431 4.6884 4.6884 4.7832 4.7832 5.0296 5.0296 5.0858 5.0858 5.6126 5.6126 5.6266 5.6266 6.1893 6.1893 6.6342 6.6342 6.6498 6.6498 k = 0.0000 0.0000 0.8316 ( 2744 PWs) bands (ev): -12.8106 -12.8106 -12.8106 -12.8106 -12.0391 -12.0391 -12.0385 -12.0385 -0.6569 -0.6569 -0.6569 -0.6569 0.0823 0.0823 0.0823 0.0823 1.2610 1.2610 1.2611 1.2611 2.5241 2.5241 2.5245 2.5245 2.6770 2.6770 2.6772 2.6772 3.0741 3.0741 3.0745 3.0745 5.0232 5.0232 5.0233 5.0233 5.5001 5.5001 5.5004 5.5004 5.7584 5.7584 5.7585 5.7585 6.6439 6.6439 6.6440 6.6440 7.3764 7.3765 k =-0.0192 0.0047 0.8316 ( 2752 PWs) bands (ev): -12.8105 -12.8105 -12.8105 -12.8105 -12.0392 -12.0392 -12.0386 -12.0386 -0.6561 -0.6561 -0.6561 -0.6561 0.0828 0.0829 0.0829 0.0829 1.2610 1.2610 1.2612 1.2612 2.5239 2.5239 2.5242 2.5242 2.6613 2.6615 2.6615 2.6617 3.0887 3.0888 3.0891 3.0892 5.0230 5.0231 5.0231 5.0232 5.5002 5.5002 5.5004 5.5004 5.7578 5.7579 5.7580 5.7582 6.6444 6.6445 6.6445 6.6447 7.3764 7.3765 k =-0.0385 0.0095 0.8316 ( 2756 PWs) bands (ev): -12.8103 -12.8103 -12.8103 -12.8103 -12.0395 -12.0395 -12.0389 -12.0389 -0.6537 -0.6536 -0.6536 -0.6536 0.0845 0.0846 0.0846 0.0846 1.2612 1.2612 1.2613 1.2613 2.5230 2.5231 2.5234 2.5234 2.6201 2.6203 2.6204 2.6206 3.1272 3.1273 3.1275 3.1277 5.0227 5.0228 5.0229 5.0230 5.5003 5.5003 5.5006 5.5006 5.7563 5.7565 5.7567 5.7569 6.6462 6.6463 6.6465 6.6466 7.3766 7.3766 k =-0.0577 0.0142 0.8316 ( 2760 PWs) bands (ev): -12.8099 -12.8099 -12.8098 -12.8098 -12.0401 -12.0401 -12.0395 -12.0395 -0.6496 -0.6495 -0.6495 -0.6495 0.0874 0.0874 0.0875 0.0875 1.2615 1.2615 1.2616 1.2616 2.5203 2.5204 2.5206 2.5207 2.5645 2.5646 2.5649 2.5650 3.1798 3.1800 3.1801 3.1803 5.0222 5.0223 5.0226 5.0227 5.5005 5.5005 5.5008 5.5008 5.7539 5.7541 5.7546 5.7547 6.6492 6.6493 6.6496 6.6497 7.3767 7.3768 k =-0.0769 0.0190 0.8316 ( 2756 PWs) bands (ev): -12.8093 -12.8093 -12.8093 -12.8093 -12.0409 -12.0409 -12.0402 -12.0402 -0.6439 -0.6439 -0.6439 -0.6438 0.0915 0.0915 0.0916 0.0917 1.2620 1.2620 1.2621 1.2621 2.4896 2.4896 2.4897 2.4897 2.5276 2.5278 2.5279 2.5281 3.2395 3.2397 3.2398 3.2400 5.0217 5.0218 5.0222 5.0223 5.5009 5.5009 5.5011 5.5011 5.7506 5.7508 5.7515 5.7517 6.6534 6.6535 6.6539 6.6540 7.3771 7.3771 k =-0.0962 0.0237 0.8316 ( 2752 PWs) bands (ev): -12.8086 -12.8086 -12.8085 -12.8085 -12.0418 -12.0418 -12.0412 -12.0412 -0.6368 -0.6368 -0.6368 -0.6367 0.0968 0.0968 0.0970 0.0970 1.2626 1.2626 1.2627 1.2627 2.4203 2.4204 2.4205 2.4206 2.5236 2.5237 2.5239 2.5240 3.3025 3.3027 3.3027 3.3029 5.0211 5.0212 5.0217 5.0219 5.5013 5.5013 5.5015 5.5015 5.7466 5.7468 5.7477 5.7478 6.6587 6.6588 6.6592 6.6594 7.3775 7.3775 k =-0.1154 0.0284 0.8316 ( 2756 PWs) bands (ev): -12.8077 -12.8077 -12.8077 -12.8077 -12.0430 -12.0430 -12.0424 -12.0424 -0.6284 -0.6283 -0.6283 -0.6282 0.1034 0.1035 0.1036 0.1037 1.2633 1.2633 1.2634 1.2634 2.3455 2.3456 2.3458 2.3459 2.5217 2.5218 2.5220 2.5221 3.3665 3.3668 3.3668 3.3670 5.0204 5.0205 5.0212 5.0213 5.5017 5.5018 5.5020 5.5020 5.7417 5.7419 5.7430 5.7431 6.6649 6.6651 6.6656 6.6657 7.3779 7.3780 k =-0.1346 0.0332 0.8316 ( 2756 PWs) bands (ev): -12.8067 -12.8067 -12.8067 -12.8067 -12.0443 -12.0443 -12.0437 -12.0437 -0.6187 -0.6186 -0.6185 -0.6185 0.1115 0.1116 0.1118 0.1118 1.2641 1.2641 1.2642 1.2642 2.2685 2.2686 2.2688 2.2689 2.5200 2.5200 2.5203 2.5204 3.4305 3.4307 3.4307 3.4309 5.0197 5.0198 5.0206 5.0207 5.5022 5.5023 5.5025 5.5025 5.7361 5.7363 5.7375 5.7377 6.6721 6.6722 6.6728 6.6729 7.3784 7.3785 k =-0.1538 0.0379 0.8316 ( 2758 PWs) bands (ev): -12.8056 -12.8056 -12.8055 -12.8055 -12.0458 -12.0458 -12.0452 -12.0452 -0.6079 -0.6078 -0.6077 -0.6077 0.1211 0.1211 0.1214 0.1214 1.2650 1.2650 1.2651 1.2651 2.1902 2.1903 2.1906 2.1906 2.5182 2.5183 2.5185 2.5186 3.4935 3.4937 3.4937 3.4939 5.0190 5.0191 5.0200 5.0201 5.5028 5.5029 5.5031 5.5031 5.7299 5.7300 5.7314 5.7316 6.6800 6.6802 6.6808 6.6809 7.3790 7.3791 k =-0.1731 0.0426 0.8316 ( 2766 PWs) bands (ev): -12.8044 -12.8044 -12.8043 -12.8043 -12.0475 -12.0475 -12.0468 -12.0468 -0.5961 -0.5961 -0.5960 -0.5959 0.1323 0.1323 0.1326 0.1326 1.2659 1.2659 1.2660 1.2660 2.1113 2.1113 2.1116 2.1117 2.5163 2.5164 2.5167 2.5167 3.5551 3.5553 3.5553 3.5555 5.0184 5.0184 5.0194 5.0195 5.5034 5.5034 5.5036 5.5037 5.7230 5.7232 5.7246 5.7248 6.6886 6.6887 6.6894 6.6895 7.3796 7.3797 k =-0.1923 0.0474 0.8316 ( 2766 PWs) bands (ev): -12.8031 -12.8030 -12.8030 -12.8030 -12.0492 -12.0492 -12.0486 -12.0486 -0.5837 -0.5836 -0.5835 -0.5835 0.1452 0.1452 0.1455 0.1456 1.2669 1.2669 1.2670 1.2670 2.0321 2.0321 2.0325 2.0325 2.5144 2.5144 2.5147 2.5148 3.6148 3.6150 3.6150 3.6152 5.0178 5.0179 5.0189 5.0190 5.5040 5.5041 5.5043 5.5043 5.7156 5.7158 5.7173 5.7175 6.6977 6.6979 6.6986 6.6987 7.3802 7.3803 k =-0.2115 0.0521 0.8316 ( 2758 PWs) bands (ev): -12.8017 -12.8017 -12.8016 -12.8016 -12.0510 -12.0510 -12.0504 -12.0504 -0.5707 -0.5706 -0.5705 -0.5704 0.1599 0.1600 0.1603 0.1604 1.2680 1.2680 1.2681 1.2681 1.9531 1.9531 1.9534 1.9535 2.5124 2.5124 2.5127 2.5127 3.6724 3.6725 3.6726 3.6727 5.0176 5.0177 5.0187 5.0188 5.5047 5.5048 5.5049 5.5050 5.7078 5.7080 5.7096 5.7098 6.7073 6.7074 6.7081 6.7082 7.3810 7.3810 k =-0.2308 0.0569 0.8316 ( 2754 PWs) bands (ev): -12.8002 -12.8002 -12.8002 -12.8002 -12.0529 -12.0529 -12.0523 -12.0523 -0.5573 -0.5573 -0.5572 -0.5571 0.1766 0.1767 0.1770 0.1771 1.2691 1.2691 1.2692 1.2692 1.8745 1.8745 1.8748 1.8749 2.5103 2.5103 2.5106 2.5107 3.7274 3.7276 3.7277 3.7278 5.0174 5.0175 5.0185 5.0186 5.5054 5.5054 5.5056 5.5057 5.6997 5.6999 5.7015 5.7017 6.7170 6.7171 6.7179 6.7180 7.3817 7.3817 k =-0.2500 0.0616 0.8316 ( 2748 PWs) bands (ev): -12.7988 -12.7988 -12.7987 -12.7987 -12.0548 -12.0548 -12.0542 -12.0542 -0.5439 -0.5439 -0.5438 -0.5437 0.1953 0.1954 0.1958 0.1958 1.2703 1.2703 1.2704 1.2704 1.7966 1.7966 1.7970 1.7970 2.5082 2.5082 2.5085 2.5085 3.7798 3.7799 3.7800 3.7801 5.0174 5.0175 5.0186 5.0187 5.5060 5.5061 5.5063 5.5064 5.6913 5.6915 5.6931 5.6933 6.7269 6.7270 6.7278 6.7279 7.3824 7.3825 k =-0.2692 0.0663 0.8316 ( 2744 PWs) bands (ev): -12.7973 -12.7973 -12.7973 -12.7973 -12.0567 -12.0567 -12.0561 -12.0561 -0.5307 -0.5306 -0.5305 -0.5304 0.2162 0.2163 0.2166 0.2167 1.2714 1.2714 1.2715 1.2715 1.7197 1.7198 1.7201 1.7202 2.5061 2.5061 2.5064 2.5064 3.8292 3.8293 3.8295 3.8295 5.0176 5.0177 5.0188 5.0189 5.5067 5.5068 5.5069 5.5070 5.6827 5.6829 5.6845 5.6847 6.7367 6.7369 6.7376 6.7377 7.3832 7.3833 k =-0.2885 0.0711 0.8316 ( 2744 PWs) bands (ev): -12.7959 -12.7959 -12.7958 -12.7958 -12.0587 -12.0586 -12.0580 -12.0580 -0.5177 -0.5177 -0.5176 -0.5175 0.2391 0.2392 0.2396 0.2397 1.2725 1.2725 1.2726 1.2726 1.6442 1.6442 1.6446 1.6446 2.5040 2.5040 2.5043 2.5043 3.8755 3.8755 3.8757 3.8758 5.0181 5.0182 5.0193 5.0193 5.5072 5.5073 5.5075 5.5076 5.6741 5.6744 5.6758 5.6761 6.7464 6.7465 6.7472 6.7473 7.3839 7.3840 k =-0.3077 0.0758 0.8316 ( 2756 PWs) bands (ev): -12.7945 -12.7945 -12.7944 -12.7944 -12.0605 -12.0605 -12.0599 -12.0599 -0.5054 -0.5053 -0.5052 -0.5052 0.2642 0.2643 0.2646 0.2647 1.2736 1.2736 1.2737 1.2737 1.5702 1.5703 1.5706 1.5707 2.5019 2.5020 2.5023 2.5023 3.9184 3.9184 3.9186 3.9187 5.0188 5.0189 5.0199 5.0200 5.5077 5.5078 5.5079 5.5080 5.6655 5.6657 5.6672 5.6674 6.7557 6.7558 6.7564 6.7565 7.3846 7.3846 k =-0.3269 0.0806 0.8316 ( 2756 PWs) bands (ev): -12.7931 -12.7931 -12.7931 -12.7931 -12.0623 -12.0623 -12.0616 -12.0616 -0.4937 -0.4937 -0.4936 -0.4935 0.2912 0.2913 0.2917 0.2918 1.2746 1.2746 1.2747 1.2747 1.4983 1.4984 1.4987 1.4988 2.5000 2.5000 2.5003 2.5004 3.9577 3.9578 3.9580 3.9580 5.0197 5.0198 5.0208 5.0209 5.5081 5.5082 5.5084 5.5085 5.6572 5.6574 5.6587 5.6590 6.7645 6.7647 6.7652 6.7653 7.3853 7.3853 k =-0.3462 0.0853 0.8316 ( 2752 PWs) bands (ev): -12.7918 -12.7918 -12.7918 -12.7918 -12.0640 -12.0640 -12.0633 -12.0633 -0.4830 -0.4830 -0.4828 -0.4828 0.3201 0.3202 0.3205 0.3206 1.2756 1.2756 1.2757 1.2757 1.4289 1.4290 1.4293 1.4294 2.4982 2.4983 2.4985 2.4986 3.9934 3.9935 3.9937 3.9937 5.0209 5.0209 5.0219 5.0219 5.5085 5.5086 5.5088 5.5089 5.6492 5.6495 5.6507 5.6509 6.7728 6.7730 6.7735 6.7736 7.3859 7.3860 k =-0.3654 0.0900 0.8316 ( 2750 PWs) bands (ev): -12.7907 -12.7907 -12.7906 -12.7906 -12.0655 -12.0655 -12.0649 -12.0649 -0.4733 -0.4732 -0.4731 -0.4731 0.3503 0.3504 0.3508 0.3509 1.2764 1.2765 1.2765 1.2766 1.3625 1.3626 1.3629 1.3630 2.4966 2.4966 2.4969 2.4969 4.0253 4.0253 4.0255 4.0256 5.0222 5.0222 5.0231 5.0232 5.5089 5.5090 5.5091 5.5092 5.6418 5.6420 5.6431 5.6433 6.7805 6.7806 6.7810 6.7811 7.3865 7.3866 k =-0.3846 0.0948 0.8316 ( 2750 PWs) bands (ev): -12.7896 -12.7896 -12.7896 -12.7896 -12.0669 -12.0669 -12.0663 -12.0663 -0.4647 -0.4646 -0.4645 -0.4645 0.3814 0.3815 0.3818 0.3820 1.2768 1.2769 1.2769 1.2770 1.3003 1.3004 1.3005 1.3006 2.4951 2.4951 2.4954 2.4954 4.0531 4.0531 4.0534 4.0534 5.0236 5.0236 5.0244 5.0245 5.5091 5.5092 5.5093 5.5094 5.6349 5.6352 5.6361 5.6363 6.7873 6.7874 6.7878 6.7879 7.3870 7.3871 k =-0.4038 0.0995 0.8316 ( 2760 PWs) bands (ev): -12.7887 -12.7887 -12.7886 -12.7886 -12.0681 -12.0681 -12.0675 -12.0675 -0.4573 -0.4572 -0.4572 -0.4571 0.4125 0.4126 0.4129 0.4130 1.2412 1.2413 1.2416 1.2417 1.2784 1.2785 1.2785 1.2786 2.4937 2.4938 2.4941 2.4941 4.0768 4.0769 4.0771 4.0772 5.0250 5.0250 5.0257 5.0257 5.5092 5.5093 5.5094 5.5095 5.6288 5.6290 5.6298 5.6300 6.7932 6.7934 6.7937 6.7938 7.3874 7.3875 k =-0.4231 0.1042 0.8316 ( 2754 PWs) bands (ev): -12.7879 -12.7879 -12.7878 -12.7878 -12.0692 -12.0691 -12.0685 -12.0685 -0.4512 -0.4511 -0.4511 -0.4510 0.4424 0.4426 0.4428 0.4430 1.1894 1.1895 1.1897 1.1899 1.2789 1.2789 1.2790 1.2790 2.4926 2.4927 2.4930 2.4930 4.0964 4.0964 4.0967 4.0967 5.0263 5.0264 5.0269 5.0269 5.5092 5.5093 5.5095 5.5096 5.6236 5.6239 5.6245 5.6247 6.7983 6.7984 6.7986 6.7987 7.3878 7.3879 k =-0.4423 0.1090 0.8316 ( 2758 PWs) bands (ev): -12.7873 -12.7873 -12.7872 -12.7872 -12.0700 -12.0700 -12.0693 -12.0693 -0.4464 -0.4463 -0.4463 -0.4463 0.4695 0.4697 0.4699 0.4700 1.1450 1.1452 1.1453 1.1455 1.2793 1.2793 1.2794 1.2794 2.4918 2.4918 2.4921 2.4921 4.1117 4.1117 4.1120 4.1120 5.0274 5.0275 5.0279 5.0279 5.5093 5.5093 5.5095 5.5096 5.6195 5.6198 5.6201 5.6204 6.8022 6.8023 6.8025 6.8026 7.3881 7.3882 k =-0.4615 0.1137 0.8316 ( 2758 PWs) bands (ev): -12.7868 -12.7868 -12.7868 -12.7868 -12.0706 -12.0706 -12.0699 -12.0699 -0.4429 -0.4429 -0.4429 -0.4429 0.4917 0.4919 0.4919 0.4921 1.1106 1.1108 1.1108 1.1110 1.2796 1.2797 1.2797 1.2798 2.4911 2.4911 2.4915 2.4915 4.1226 4.1226 4.1230 4.1230 5.0284 5.0284 5.0287 5.0287 5.5093 5.5093 5.5095 5.5096 5.6165 5.6168 5.6169 5.6172 6.8051 6.8052 6.8053 6.8054 7.3884 7.3885 k =-0.4808 0.1185 0.8316 ( 2756 PWs) bands (ev): -12.7865 -12.7865 -12.7865 -12.7865 -12.0709 -12.0709 -12.0703 -12.0703 -0.4409 -0.4408 -0.4408 -0.4408 0.5064 0.5066 0.5067 0.5068 1.0885 1.0886 1.0887 1.0888 1.2798 1.2799 1.2800 1.2800 2.4908 2.4908 2.4911 2.4911 4.1292 4.1292 4.1296 4.1296 5.0290 5.0290 5.0291 5.0292 5.5093 5.5093 5.5095 5.5096 5.6148 5.6150 5.6150 5.6152 6.8069 6.8070 6.8070 6.8071 7.3885 7.3886 k =-0.5000 0.1232 0.8316 ( 2756 PWs) bands (ev): -12.7865 -12.7865 -12.7864 -12.7864 -12.0710 -12.0710 -12.0704 -12.0704 -0.4402 -0.4402 -0.4401 -0.4401 0.5117 0.5117 0.5119 0.5119 1.0809 1.0809 1.0811 1.0811 1.2799 1.2799 1.2800 1.2800 2.4906 2.4906 2.4910 2.4910 4.1314 4.1314 4.1318 4.1318 5.0292 5.0292 5.0293 5.0293 5.5093 5.5093 5.5095 5.5095 5.6142 5.6142 5.6145 5.6145 6.8075 6.8075 6.8076 6.8076 7.3886 7.3886 Writing output data file FeHO2.save init_run : 0.86s CPU 0.51s WALL ( 1 calls) electrons : 406.47s CPU 278.94s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.10s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 406.46s CPU 278.93s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.18s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.42s CPU 0.53s WALL ( 460 calls) cegterg : 352.61s CPU 246.20s WALL ( 553 calls) Called by sum_band: Called by *egterg: h_psi : 244.30s CPU 153.41s WALL ( 10000 calls) s_psi : 17.72s CPU 11.46s WALL ( 10000 calls) g_psi : 0.28s CPU 0.20s WALL ( 8987 calls) cdiaghg : 110.20s CPU 88.24s WALL ( 9447 calls) cegterg:over : 10.72s CPU 7.53s WALL ( 8987 calls) cegterg:upda : 7.65s CPU 5.87s WALL ( 8987 calls) cegterg:last : 3.92s CPU 2.96s WALL ( 1483 calls) cdiaghg:chol : 5.57s CPU 4.79s WALL ( 9447 calls) cdiaghg:inve : 3.87s CPU 3.26s WALL ( 9447 calls) cdiaghg:para : 6.17s CPU 5.09s WALL ( 18894 calls) Called by h_psi: h_psi:vloc : 221.15s CPU 138.21s WALL ( 10000 calls) h_psi:vnl : 22.88s CPU 14.99s WALL ( 10000 calls) add_vuspsi : 12.78s CPU 8.13s WALL ( 10000 calls) General routines calbec : 10.04s CPU 6.82s WALL ( 10000 calls) fft : 0.06s CPU 0.04s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 207.57s CPU 128.88s WALL ( 1046864 calls) interpolate : 0.02s CPU 0.01s WALL ( 4 calls) davcio : 0.45s CPU 0.76s WALL ( 920 calls) Parallel routines fft_scatter : 69.02s CPU 46.10s WALL ( 1046887 calls) PWSCF : 7m 4.42s CPU 5m22.08s WALL This run was terminated on: 23:20:32 10Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=