Program PWSCF v.5.1.1 starts on 19Oct2015 at 0:38:53 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), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./LiZnSb.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 41 41 11 2401 2401 353 Max 42 42 12 2407 2407 358 Sum 1981 1981 559 115419 115419 17009 bravais-lattice index = 14 lattice parameter (alat) = 8.3734 a.u. unit-cell volume = 821.2240 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 411.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.373376 celldm(2)= 1.000000 celldm(3)= 1.615211 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.615211 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.619114 ) PseudoPot. # 1 for Li read from file: /home/autes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 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 Sb read from file: /home/autes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 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 PseudoPot. # 3 for Zn read from file: /home/autes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 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 Li 3.00 6.94100 Li( 1.00) Sb 5.00 121.76000 Sb( 1.00) Zn 12.00 65.40900 Zn( 1.00) 12 Sym. Ops. (no inversion) found ( 6 have fractional translation) 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 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8076055 ) isym = 3 60 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 3) = ( 0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8076055 ) isym = 4 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 4) = ( 0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8076055 ) isym = 5 120 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 6) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8076055 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 9) = ( -0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8076055 ) isym = 10 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(10) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8076055 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_6v (6mm) there are 9 classes and 3 irreducible representations the character table: E -E C2 2C3 -2C3 2C6 -2C6 3s_v 3s_d -C2 -3s_v -3s_d G_7 2.00 -2.00 0.00 1.00 -1.00 1.73 -1.73 0.00 0.00 G_8 2.00 -2.00 0.00 1.00 -1.00 -1.73 1.73 0.00 0.00 G_9 2.00 -2.00 0.00 -2.00 2.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 2C6 3 4 2C3 5 6 3s_v-3s_v 7 -7 9 10 -10 -9 3s_d-3s_d 8 -8 12 -11 11 -12 -E -1 -2C6 -3 -4 -2C3 -5 -6 Cartesian axes number of k points= 301 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 2) = ( 0.0121951 0.0070409 -0.0000000), wk = 0.0033223 k( 3) = ( 0.0243902 0.0140817 -0.0000000), wk = 0.0033223 k( 4) = ( 0.0365854 0.0211226 -0.0000000), wk = 0.0033223 k( 5) = ( 0.0487805 0.0281634 -0.0000000), wk = 0.0033223 k( 6) = ( 0.0609756 0.0352043 -0.0000000), wk = 0.0033223 k( 7) = ( 0.0731707 0.0422451 -0.0000000), wk = 0.0033223 k( 8) = ( 0.0853658 0.0492860 -0.0000000), wk = 0.0033223 k( 9) = ( 0.0975610 0.0563269 -0.0000000), wk = 0.0033223 k( 10) = ( 0.1097561 0.0633677 -0.0000000), wk = 0.0033223 k( 11) = ( 0.1219512 0.0704086 -0.0000000), wk = 0.0033223 k( 12) = ( 0.1341463 0.0774494 -0.0000000), wk = 0.0033223 k( 13) = ( 0.1463415 0.0844903 -0.0000000), wk = 0.0033223 k( 14) = ( 0.1585366 0.0915311 -0.0000000), wk = 0.0033223 k( 15) = ( 0.1707317 0.0985720 -0.0000000), wk = 0.0033223 k( 16) = ( 0.1829268 0.1056129 -0.0000000), wk = 0.0033223 k( 17) = ( 0.1951219 0.1126537 -0.0000000), wk = 0.0033223 k( 18) = ( 0.2073171 0.1196946 -0.0000000), wk = 0.0033223 k( 19) = ( 0.2195122 0.1267354 -0.0000000), wk = 0.0033223 k( 20) = ( 0.2317073 0.1337763 -0.0000000), wk = 0.0033223 k( 21) = ( 0.2439024 0.1408171 -0.0000000), wk = 0.0033223 k( 22) = ( 0.2560976 0.1478580 -0.0000000), wk = 0.0033223 k( 23) = ( 0.2682927 0.1548989 -0.0000000), wk = 0.0033223 k( 24) = ( 0.2804878 0.1619397 -0.0000000), wk = 0.0033223 k( 25) = ( 0.2926829 0.1689806 -0.0000000), wk = 0.0033223 k( 26) = ( 0.3048781 0.1760214 -0.0000000), wk = 0.0033223 k( 27) = ( 0.3170732 0.1830623 -0.0000000), wk = 0.0033223 k( 28) = ( 0.3292683 0.1901031 -0.0000000), wk = 0.0033223 k( 29) = ( 0.3414634 0.1971440 -0.0000000), wk = 0.0033223 k( 30) = ( 0.3536585 0.2041849 -0.0000000), wk = 0.0033223 k( 31) = ( 0.3658537 0.2112257 -0.0000000), wk = 0.0033223 k( 32) = ( 0.3780488 0.2182666 -0.0000000), wk = 0.0033223 k( 33) = ( 0.3902439 0.2253074 -0.0000000), wk = 0.0033223 k( 34) = ( 0.4024390 0.2323483 -0.0000000), wk = 0.0033223 k( 35) = ( 0.4146341 0.2393891 -0.0000000), wk = 0.0033223 k( 36) = ( 0.4268293 0.2464300 -0.0000000), wk = 0.0033223 k( 37) = ( 0.4390244 0.2534708 -0.0000000), wk = 0.0033223 k( 38) = ( 0.4512195 0.2605117 -0.0000000), wk = 0.0033223 k( 39) = ( 0.4634146 0.2675526 -0.0000000), wk = 0.0033223 k( 40) = ( 0.4756098 0.2745934 -0.0000000), wk = 0.0033223 k( 41) = ( 0.4878049 0.2816343 -0.0000000), wk = 0.0033223 k( 42) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033223 k( 43) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033223 k( 44) = ( 0.4930556 0.3007033 -0.0000000), wk = 0.0033223 k( 45) = ( 0.4861111 0.3127314 -0.0000000), wk = 0.0033223 k( 46) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0033223 k( 47) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0033223 k( 48) = ( 0.4652778 0.3488158 -0.0000000), wk = 0.0033223 k( 49) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0033223 k( 50) = ( 0.4513889 0.3728720 -0.0000000), wk = 0.0033223 k( 51) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0033223 k( 52) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0033223 k( 53) = ( 0.4305556 0.4089564 -0.0000000), wk = 0.0033223 k( 54) = ( 0.4236111 0.4209846 -0.0000000), wk = 0.0033223 k( 55) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0033223 k( 56) = ( 0.4097222 0.4450408 -0.0000000), wk = 0.0033223 k( 57) = ( 0.4027778 0.4570690 -0.0000000), wk = 0.0033223 k( 58) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0033223 k( 59) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0033223 k( 60) = ( 0.3819444 0.4931534 -0.0000000), wk = 0.0033223 k( 61) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0033223 k( 62) = ( 0.3680556 0.5172096 -0.0000000), wk = 0.0033223 k( 63) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0033223 k( 64) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0033223 k( 65) = ( 0.3472222 0.5532940 -0.0000000), wk = 0.0033223 k( 66) = ( 0.3402778 0.5653221 -0.0000000), wk = 0.0033223 k( 67) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033223 k( 68) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033223 k( 69) = ( 0.3263889 0.5653221 -0.0000000), wk = 0.0033223 k( 70) = ( 0.3194444 0.5532940 -0.0000000), wk = 0.0033223 k( 71) = ( 0.3125000 0.5412659 -0.0000000), wk = 0.0033223 k( 72) = ( 0.3055556 0.5292378 -0.0000000), wk = 0.0033223 k( 73) = ( 0.2986111 0.5172096 -0.0000000), wk = 0.0033223 k( 74) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0033223 k( 75) = ( 0.2847222 0.4931534 -0.0000000), wk = 0.0033223 k( 76) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0033223 k( 77) = ( 0.2708333 0.4690971 -0.0000000), wk = 0.0033223 k( 78) = ( 0.2638889 0.4570690 -0.0000000), wk = 0.0033223 k( 79) = ( 0.2569444 0.4450408 -0.0000000), wk = 0.0033223 k( 80) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0033223 k( 81) = ( 0.2430556 0.4209846 -0.0000000), wk = 0.0033223 k( 82) = ( 0.2361111 0.4089564 -0.0000000), wk = 0.0033223 k( 83) = ( 0.2291667 0.3969283 -0.0000000), wk = 0.0033223 k( 84) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0033223 k( 85) = ( 0.2152778 0.3728721 -0.0000000), wk = 0.0033223 k( 86) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0033223 k( 87) = ( 0.2013889 0.3488158 -0.0000000), wk = 0.0033223 k( 88) = ( 0.1944444 0.3367876 -0.0000000), wk = 0.0033223 k( 89) = ( 0.1875000 0.3247595 -0.0000000), wk = 0.0033223 k( 90) = ( 0.1805556 0.3127314 -0.0000000), wk = 0.0033223 k( 91) = ( 0.1736111 0.3007033 -0.0000000), wk = 0.0033223 k( 92) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0033223 k( 93) = ( 0.1597222 0.2766470 -0.0000000), wk = 0.0033223 k( 94) = ( 0.1527778 0.2646189 -0.0000000), wk = 0.0033223 k( 95) = ( 0.1458333 0.2525907 -0.0000000), wk = 0.0033223 k( 96) = ( 0.1388889 0.2405626 -0.0000000), wk = 0.0033223 k( 97) = ( 0.1319444 0.2285345 -0.0000000), wk = 0.0033223 k( 98) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0033223 k( 99) = ( 0.1180556 0.2044782 -0.0000000), wk = 0.0033223 k( 100) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0033223 k( 101) = ( 0.1041667 0.1804220 -0.0000000), wk = 0.0033223 k( 102) = ( 0.0972222 0.1683938 -0.0000000), wk = 0.0033223 k( 103) = ( 0.0902778 0.1563657 -0.0000000), wk = 0.0033223 k( 104) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0033223 k( 105) = ( 0.0763889 0.1323094 -0.0000000), wk = 0.0033223 k( 106) = ( 0.0694444 0.1202813 -0.0000000), wk = 0.0033223 k( 107) = ( 0.0625000 0.1082532 -0.0000000), wk = 0.0033223 k( 108) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0033223 k( 109) = ( 0.0486111 0.0841969 -0.0000000), wk = 0.0033223 k( 110) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0033223 k( 111) = ( 0.0347222 0.0601406 -0.0000000), wk = 0.0033223 k( 112) = ( 0.0277778 0.0481125 -0.0000000), wk = 0.0033223 k( 113) = ( 0.0208333 0.0360844 -0.0000000), wk = 0.0033223 k( 114) = ( 0.0138889 0.0240563 -0.0000000), wk = 0.0033223 k( 115) = ( 0.0069444 0.0120281 -0.0000000), wk = 0.0033223 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 118) = ( 0.0000000 0.0000000 0.0140708), wk = 0.0033223 k( 119) = ( 0.0000000 0.0000000 0.0281416), wk = 0.0033223 k( 120) = ( 0.0000000 0.0000000 0.0422123), wk = 0.0033223 k( 121) = ( 0.0000000 0.0000000 0.0562831), wk = 0.0033223 k( 122) = ( 0.0000000 0.0000000 0.0703539), wk = 0.0033223 k( 123) = ( 0.0000000 0.0000000 0.0844247), wk = 0.0033223 k( 124) = ( 0.0000000 0.0000000 0.0984954), wk = 0.0033223 k( 125) = ( 0.0000000 0.0000000 0.1125662), wk = 0.0033223 k( 126) = ( 0.0000000 0.0000000 0.1266370), wk = 0.0033223 k( 127) = ( 0.0000000 0.0000000 0.1407078), wk = 0.0033223 k( 128) = ( 0.0000000 0.0000000 0.1547785), wk = 0.0033223 k( 129) = ( 0.0000000 0.0000000 0.1688493), wk = 0.0033223 k( 130) = ( 0.0000000 0.0000000 0.1829201), wk = 0.0033223 k( 131) = ( 0.0000000 0.0000000 0.1969909), wk = 0.0033223 k( 132) = ( 0.0000000 0.0000000 0.2110616), wk = 0.0033223 k( 133) = ( 0.0000000 0.0000000 0.2251324), wk = 0.0033223 k( 134) = ( 0.0000000 0.0000000 0.2392032), wk = 0.0033223 k( 135) = ( 0.0000000 0.0000000 0.2532740), wk = 0.0033223 k( 136) = ( 0.0000000 0.0000000 0.2673447), wk = 0.0033223 k( 137) = ( 0.0000000 0.0000000 0.2814155), wk = 0.0033223 k( 138) = ( 0.0000000 0.0000000 0.2954863), wk = 0.0033223 k( 139) = ( 0.0000000 0.0000000 0.3095571), wk = 0.0033223 k( 140) = ( 0.0000000 0.0000000 0.3095571), wk = 0.0033223 k( 141) = ( 0.0121951 0.0070409 0.3095571), wk = 0.0033223 k( 142) = ( 0.0243902 0.0140817 0.3095571), wk = 0.0033223 k( 143) = ( 0.0365854 0.0211226 0.3095571), wk = 0.0033223 k( 144) = ( 0.0487805 0.0281634 0.3095571), wk = 0.0033223 k( 145) = ( 0.0609756 0.0352043 0.3095571), wk = 0.0033223 k( 146) = ( 0.0731707 0.0422451 0.3095571), wk = 0.0033223 k( 147) = ( 0.0853658 0.0492860 0.3095571), wk = 0.0033223 k( 148) = ( 0.0975610 0.0563269 0.3095571), wk = 0.0033223 k( 149) = ( 0.1097561 0.0633677 0.3095571), wk = 0.0033223 k( 150) = ( 0.1219512 0.0704086 0.3095571), wk = 0.0033223 k( 151) = ( 0.1341463 0.0774494 0.3095571), wk = 0.0033223 k( 152) = ( 0.1463415 0.0844903 0.3095571), wk = 0.0033223 k( 153) = ( 0.1585366 0.0915311 0.3095571), wk = 0.0033223 k( 154) = ( 0.1707317 0.0985720 0.3095571), wk = 0.0033223 k( 155) = ( 0.1829268 0.1056129 0.3095571), wk = 0.0033223 k( 156) = ( 0.1951219 0.1126537 0.3095571), wk = 0.0033223 k( 157) = ( 0.2073171 0.1196946 0.3095571), wk = 0.0033223 k( 158) = ( 0.2195122 0.1267354 0.3095571), wk = 0.0033223 k( 159) = ( 0.2317073 0.1337763 0.3095571), wk = 0.0033223 k( 160) = ( 0.2439024 0.1408171 0.3095571), wk = 0.0033223 k( 161) = ( 0.2560976 0.1478580 0.3095571), wk = 0.0033223 k( 162) = ( 0.2682927 0.1548989 0.3095571), wk = 0.0033223 k( 163) = ( 0.2804878 0.1619397 0.3095571), wk = 0.0033223 k( 164) = ( 0.2926829 0.1689806 0.3095571), wk = 0.0033223 k( 165) = ( 0.3048781 0.1760214 0.3095571), wk = 0.0033223 k( 166) = ( 0.3170732 0.1830623 0.3095571), wk = 0.0033223 k( 167) = ( 0.3292683 0.1901031 0.3095571), wk = 0.0033223 k( 168) = ( 0.3414634 0.1971440 0.3095571), wk = 0.0033223 k( 169) = ( 0.3536585 0.2041849 0.3095571), wk = 0.0033223 k( 170) = ( 0.3658537 0.2112257 0.3095571), wk = 0.0033223 k( 171) = ( 0.3780488 0.2182666 0.3095571), wk = 0.0033223 k( 172) = ( 0.3902439 0.2253074 0.3095571), wk = 0.0033223 k( 173) = ( 0.4024390 0.2323483 0.3095571), wk = 0.0033223 k( 174) = ( 0.4146341 0.2393891 0.3095571), wk = 0.0033223 k( 175) = ( 0.4268293 0.2464300 0.3095571), wk = 0.0033223 k( 176) = ( 0.4390244 0.2534708 0.3095571), wk = 0.0033223 k( 177) = ( 0.4512195 0.2605117 0.3095571), wk = 0.0033223 k( 178) = ( 0.4634146 0.2675526 0.3095571), wk = 0.0033223 k( 179) = ( 0.4756098 0.2745934 0.3095571), wk = 0.0033223 k( 180) = ( 0.4878049 0.2816343 0.3095571), wk = 0.0033223 k( 181) = ( 0.5000000 0.2886751 0.3095571), wk = 0.0033223 k( 182) = ( 0.5000000 0.2886751 0.3095571), wk = 0.0033223 k( 183) = ( 0.4930556 0.3007033 0.3095571), wk = 0.0033223 k( 184) = ( 0.4861111 0.3127314 0.3095571), wk = 0.0033223 k( 185) = ( 0.4791667 0.3247595 0.3095571), wk = 0.0033223 k( 186) = ( 0.4722222 0.3367877 0.3095571), wk = 0.0033223 k( 187) = ( 0.4652778 0.3488158 0.3095571), wk = 0.0033223 k( 188) = ( 0.4583333 0.3608439 0.3095571), wk = 0.0033223 k( 189) = ( 0.4513889 0.3728720 0.3095571), wk = 0.0033223 k( 190) = ( 0.4444444 0.3849002 0.3095571), wk = 0.0033223 k( 191) = ( 0.4375000 0.3969283 0.3095571), wk = 0.0033223 k( 192) = ( 0.4305556 0.4089564 0.3095571), wk = 0.0033223 k( 193) = ( 0.4236111 0.4209846 0.3095571), wk = 0.0033223 k( 194) = ( 0.4166667 0.4330127 0.3095571), wk = 0.0033223 k( 195) = ( 0.4097222 0.4450408 0.3095571), wk = 0.0033223 k( 196) = ( 0.4027778 0.4570690 0.3095571), wk = 0.0033223 k( 197) = ( 0.3958333 0.4690971 0.3095571), wk = 0.0033223 k( 198) = ( 0.3888889 0.4811252 0.3095571), wk = 0.0033223 k( 199) = ( 0.3819444 0.4931534 0.3095571), wk = 0.0033223 k( 200) = ( 0.3750000 0.5051815 0.3095571), wk = 0.0033223 k( 201) = ( 0.3680556 0.5172096 0.3095571), wk = 0.0033223 k( 202) = ( 0.3611111 0.5292377 0.3095571), wk = 0.0033223 k( 203) = ( 0.3541667 0.5412659 0.3095571), wk = 0.0033223 k( 204) = ( 0.3472222 0.5532940 0.3095571), wk = 0.0033223 k( 205) = ( 0.3402778 0.5653221 0.3095571), wk = 0.0033223 k( 206) = ( 0.3333333 0.5773503 0.3095571), wk = 0.0033223 k( 207) = ( 0.3333333 0.5773503 0.3095571), wk = 0.0033223 k( 208) = ( 0.3263889 0.5653221 0.3095571), wk = 0.0033223 k( 209) = ( 0.3194444 0.5532940 0.3095571), wk = 0.0033223 k( 210) = ( 0.3125000 0.5412659 0.3095571), wk = 0.0033223 k( 211) = ( 0.3055556 0.5292378 0.3095571), wk = 0.0033223 k( 212) = ( 0.2986111 0.5172096 0.3095571), wk = 0.0033223 k( 213) = ( 0.2916667 0.5051815 0.3095571), wk = 0.0033223 k( 214) = ( 0.2847222 0.4931534 0.3095571), wk = 0.0033223 k( 215) = ( 0.2777778 0.4811252 0.3095571), wk = 0.0033223 k( 216) = ( 0.2708333 0.4690971 0.3095571), wk = 0.0033223 k( 217) = ( 0.2638889 0.4570690 0.3095571), wk = 0.0033223 k( 218) = ( 0.2569444 0.4450408 0.3095571), wk = 0.0033223 k( 219) = ( 0.2500000 0.4330127 0.3095571), wk = 0.0033223 k( 220) = ( 0.2430556 0.4209846 0.3095571), wk = 0.0033223 k( 221) = ( 0.2361111 0.4089564 0.3095571), wk = 0.0033223 k( 222) = ( 0.2291667 0.3969283 0.3095571), wk = 0.0033223 k( 223) = ( 0.2222222 0.3849002 0.3095571), wk = 0.0033223 k( 224) = ( 0.2152778 0.3728721 0.3095571), wk = 0.0033223 k( 225) = ( 0.2083333 0.3608439 0.3095571), wk = 0.0033223 k( 226) = ( 0.2013889 0.3488158 0.3095571), wk = 0.0033223 k( 227) = ( 0.1944444 0.3367876 0.3095571), wk = 0.0033223 k( 228) = ( 0.1875000 0.3247595 0.3095571), wk = 0.0033223 k( 229) = ( 0.1805556 0.3127314 0.3095571), wk = 0.0033223 k( 230) = ( 0.1736111 0.3007033 0.3095571), wk = 0.0033223 k( 231) = ( 0.1666667 0.2886751 0.3095571), wk = 0.0033223 k( 232) = ( 0.1597222 0.2766470 0.3095571), wk = 0.0033223 k( 233) = ( 0.1527778 0.2646189 0.3095571), wk = 0.0033223 k( 234) = ( 0.1458333 0.2525907 0.3095571), wk = 0.0033223 k( 235) = ( 0.1388889 0.2405626 0.3095571), wk = 0.0033223 k( 236) = ( 0.1319444 0.2285345 0.3095571), wk = 0.0033223 k( 237) = ( 0.1250000 0.2165064 0.3095571), wk = 0.0033223 k( 238) = ( 0.1180556 0.2044782 0.3095571), wk = 0.0033223 k( 239) = ( 0.1111111 0.1924501 0.3095571), wk = 0.0033223 k( 240) = ( 0.1041667 0.1804220 0.3095571), wk = 0.0033223 k( 241) = ( 0.0972222 0.1683938 0.3095571), wk = 0.0033223 k( 242) = ( 0.0902778 0.1563657 0.3095571), wk = 0.0033223 k( 243) = ( 0.0833333 0.1443376 0.3095571), wk = 0.0033223 k( 244) = ( 0.0763889 0.1323094 0.3095571), wk = 0.0033223 k( 245) = ( 0.0694444 0.1202813 0.3095571), wk = 0.0033223 k( 246) = ( 0.0625000 0.1082532 0.3095571), wk = 0.0033223 k( 247) = ( 0.0555556 0.0962251 0.3095571), wk = 0.0033223 k( 248) = ( 0.0486111 0.0841969 0.3095571), wk = 0.0033223 k( 249) = ( 0.0416667 0.0721688 0.3095571), wk = 0.0033223 k( 250) = ( 0.0347222 0.0601406 0.3095571), wk = 0.0033223 k( 251) = ( 0.0277778 0.0481125 0.3095571), wk = 0.0033223 k( 252) = ( 0.0208333 0.0360844 0.3095571), wk = 0.0033223 k( 253) = ( 0.0138889 0.0240563 0.3095571), wk = 0.0033223 k( 254) = ( 0.0069444 0.0120281 0.3095571), wk = 0.0033223 k( 255) = ( 0.0000000 0.0000000 0.3095571), wk = 0.0033223 k( 256) = ( 0.5000000 0.2886751 0.3095571), wk = 0.0033223 k( 257) = ( 0.5000000 0.2886751 0.2954863), wk = 0.0033223 k( 258) = ( 0.5000000 0.2886751 0.2814155), wk = 0.0033223 k( 259) = ( 0.5000000 0.2886751 0.2673447), wk = 0.0033223 k( 260) = ( 0.5000000 0.2886751 0.2532740), wk = 0.0033223 k( 261) = ( 0.5000000 0.2886751 0.2392032), wk = 0.0033223 k( 262) = ( 0.5000000 0.2886751 0.2251324), wk = 0.0033223 k( 263) = ( 0.5000000 0.2886751 0.2110616), wk = 0.0033223 k( 264) = ( 0.5000000 0.2886751 0.1969909), wk = 0.0033223 k( 265) = ( 0.5000000 0.2886751 0.1829201), wk = 0.0033223 k( 266) = ( 0.5000000 0.2886751 0.1688493), wk = 0.0033223 k( 267) = ( 0.5000000 0.2886751 0.1547785), wk = 0.0033223 k( 268) = ( 0.5000000 0.2886751 0.1407078), wk = 0.0033223 k( 269) = ( 0.5000000 0.2886751 0.1266370), wk = 0.0033223 k( 270) = ( 0.5000000 0.2886751 0.1125662), wk = 0.0033223 k( 271) = ( 0.5000000 0.2886751 0.0984954), wk = 0.0033223 k( 272) = ( 0.5000000 0.2886751 0.0844247), wk = 0.0033223 k( 273) = ( 0.5000000 0.2886751 0.0703539), wk = 0.0033223 k( 274) = ( 0.5000000 0.2886751 0.0562831), wk = 0.0033223 k( 275) = ( 0.5000000 0.2886751 0.0422123), wk = 0.0033223 k( 276) = ( 0.5000000 0.2886751 0.0281416), wk = 0.0033223 k( 277) = ( 0.5000000 0.2886751 0.0140708), wk = 0.0033223 k( 278) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033223 k( 279) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033223 k( 280) = ( 0.3333333 0.5773503 0.0140708), wk = 0.0033223 k( 281) = ( 0.3333333 0.5773503 0.0281416), wk = 0.0033223 k( 282) = ( 0.3333333 0.5773503 0.0422123), wk = 0.0033223 k( 283) = ( 0.3333333 0.5773503 0.0562831), wk = 0.0033223 k( 284) = ( 0.3333333 0.5773503 0.0703539), wk = 0.0033223 k( 285) = ( 0.3333333 0.5773503 0.0844247), wk = 0.0033223 k( 286) = ( 0.3333333 0.5773503 0.0984954), wk = 0.0033223 k( 287) = ( 0.3333333 0.5773503 0.1125662), wk = 0.0033223 k( 288) = ( 0.3333333 0.5773503 0.1266370), wk = 0.0033223 k( 289) = ( 0.3333333 0.5773503 0.1407078), wk = 0.0033223 k( 290) = ( 0.3333333 0.5773503 0.1547785), wk = 0.0033223 k( 291) = ( 0.3333333 0.5773503 0.1688493), wk = 0.0033223 k( 292) = ( 0.3333333 0.5773503 0.1829201), wk = 0.0033223 k( 293) = ( 0.3333333 0.5773503 0.1969909), wk = 0.0033223 k( 294) = ( 0.3333333 0.5773503 0.2110616), wk = 0.0033223 k( 295) = ( 0.3333333 0.5773503 0.2251324), wk = 0.0033223 k( 296) = ( 0.3333333 0.5773503 0.2392032), wk = 0.0033223 k( 297) = ( 0.3333333 0.5773503 0.2532740), wk = 0.0033223 k( 298) = ( 0.3333333 0.5773503 0.2673447), wk = 0.0033223 k( 299) = ( 0.3333333 0.5773503 0.2814155), wk = 0.0033223 k( 300) = ( 0.3333333 0.5773503 0.2954863), wk = 0.0033223 k( 301) = ( 0.3333333 0.5773503 0.3095571), wk = 0.0033223 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 2) = ( 0.0121951 0.0000000 0.0000000), wk = 0.0033223 k( 3) = ( 0.0243902 0.0000000 0.0000000), wk = 0.0033223 k( 4) = ( 0.0365854 0.0000000 0.0000000), wk = 0.0033223 k( 5) = ( 0.0487805 0.0000000 0.0000000), wk = 0.0033223 k( 6) = ( 0.0609756 0.0000000 0.0000000), wk = 0.0033223 k( 7) = ( 0.0731707 0.0000000 0.0000000), wk = 0.0033223 k( 8) = ( 0.0853658 0.0000000 -0.0000000), wk = 0.0033223 k( 9) = ( 0.0975610 0.0000000 0.0000000), wk = 0.0033223 k( 10) = ( 0.1097561 0.0000000 0.0000000), wk = 0.0033223 k( 11) = ( 0.1219512 0.0000000 0.0000000), wk = 0.0033223 k( 12) = ( 0.1341463 0.0000000 0.0000000), wk = 0.0033223 k( 13) = ( 0.1463415 0.0000000 0.0000000), wk = 0.0033223 k( 14) = ( 0.1585366 0.0000000 0.0000000), wk = 0.0033223 k( 15) = ( 0.1707317 0.0000000 0.0000000), wk = 0.0033223 k( 16) = ( 0.1829268 0.0000000 0.0000000), wk = 0.0033223 k( 17) = ( 0.1951219 0.0000000 -0.0000000), wk = 0.0033223 k( 18) = ( 0.2073171 -0.0000000 0.0000000), wk = 0.0033223 k( 19) = ( 0.2195122 0.0000000 0.0000000), wk = 0.0033223 k( 20) = ( 0.2317073 0.0000000 0.0000000), wk = 0.0033223 k( 21) = ( 0.2439024 0.0000000 0.0000000), wk = 0.0033223 k( 22) = ( 0.2560976 0.0000000 0.0000000), wk = 0.0033223 k( 23) = ( 0.2682927 0.0000000 0.0000000), wk = 0.0033223 k( 24) = ( 0.2804878 0.0000000 0.0000000), wk = 0.0033223 k( 25) = ( 0.2926829 -0.0000000 0.0000000), wk = 0.0033223 k( 26) = ( 0.3048781 0.0000000 0.0000000), wk = 0.0033223 k( 27) = ( 0.3170732 0.0000000 0.0000000), wk = 0.0033223 k( 28) = ( 0.3292683 0.0000000 0.0000000), wk = 0.0033223 k( 29) = ( 0.3414634 0.0000000 0.0000000), wk = 0.0033223 k( 30) = ( 0.3536585 0.0000000 0.0000000), wk = 0.0033223 k( 31) = ( 0.3658537 0.0000000 0.0000000), wk = 0.0033223 k( 32) = ( 0.3780488 0.0000000 0.0000000), wk = 0.0033223 k( 33) = ( 0.3902439 0.0000000 -0.0000000), wk = 0.0033223 k( 34) = ( 0.4024390 0.0000000 0.0000000), wk = 0.0033223 k( 35) = ( 0.4146341 0.0000000 0.0000000), wk = 0.0033223 k( 36) = ( 0.4268293 -0.0000000 0.0000000), wk = 0.0033223 k( 37) = ( 0.4390244 0.0000000 0.0000000), wk = 0.0033223 k( 38) = ( 0.4512195 0.0000000 0.0000000), wk = 0.0033223 k( 39) = ( 0.4634146 0.0000000 0.0000000), wk = 0.0033223 k( 40) = ( 0.4756098 0.0000000 -0.0000000), wk = 0.0033223 k( 41) = ( 0.4878049 0.0000000 0.0000000), wk = 0.0033223 k( 42) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033223 k( 43) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033223 k( 44) = ( 0.4930556 0.0138889 -0.0000000), wk = 0.0033223 k( 45) = ( 0.4861111 0.0277778 0.0000000), wk = 0.0033223 k( 46) = ( 0.4791667 0.0416667 0.0000000), wk = 0.0033223 k( 47) = ( 0.4722222 0.0555556 0.0000000), wk = 0.0033223 k( 48) = ( 0.4652778 0.0694444 0.0000000), wk = 0.0033223 k( 49) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0033223 k( 50) = ( 0.4513889 0.0972222 -0.0000000), wk = 0.0033223 k( 51) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0033223 k( 52) = ( 0.4375000 0.1250000 0.0000000), wk = 0.0033223 k( 53) = ( 0.4305556 0.1388889 -0.0000000), wk = 0.0033223 k( 54) = ( 0.4236111 0.1527778 -0.0000000), wk = 0.0033223 k( 55) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0033223 k( 56) = ( 0.4097222 0.1805556 -0.0000000), wk = 0.0033223 k( 57) = ( 0.4027778 0.1944444 0.0000000), wk = 0.0033223 k( 58) = ( 0.3958333 0.2083333 -0.0000000), wk = 0.0033223 k( 59) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0033223 k( 60) = ( 0.3819444 0.2361111 0.0000000), wk = 0.0033223 k( 61) = ( 0.3750000 0.2500000 -0.0000000), wk = 0.0033223 k( 62) = ( 0.3680556 0.2638889 0.0000000), wk = 0.0033223 k( 63) = ( 0.3611111 0.2777778 0.0000000), wk = 0.0033223 k( 64) = ( 0.3541667 0.2916667 0.0000000), wk = 0.0033223 k( 65) = ( 0.3472222 0.3055556 0.0000000), wk = 0.0033223 k( 66) = ( 0.3402778 0.3194444 0.0000000), wk = 0.0033223 k( 67) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033223 k( 68) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033223 k( 69) = ( 0.3263889 0.3263889 -0.0000000), wk = 0.0033223 k( 70) = ( 0.3194444 0.3194444 -0.0000000), wk = 0.0033223 k( 71) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0033223 k( 72) = ( 0.3055556 0.3055556 0.0000000), wk = 0.0033223 k( 73) = ( 0.2986111 0.2986111 -0.0000000), wk = 0.0033223 k( 74) = ( 0.2916667 0.2916667 0.0000000), wk = 0.0033223 k( 75) = ( 0.2847222 0.2847222 -0.0000000), wk = 0.0033223 k( 76) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0033223 k( 77) = ( 0.2708333 0.2708333 0.0000000), wk = 0.0033223 k( 78) = ( 0.2638889 0.2638889 0.0000000), wk = 0.0033223 k( 79) = ( 0.2569444 0.2569444 0.0000000), wk = 0.0033223 k( 80) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0033223 k( 81) = ( 0.2430556 0.2430556 -0.0000000), wk = 0.0033223 k( 82) = ( 0.2361111 0.2361111 0.0000000), wk = 0.0033223 k( 83) = ( 0.2291667 0.2291667 -0.0000000), wk = 0.0033223 k( 84) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0033223 k( 85) = ( 0.2152778 0.2152778 0.0000000), wk = 0.0033223 k( 86) = ( 0.2083333 0.2083333 0.0000000), wk = 0.0033223 k( 87) = ( 0.2013889 0.2013889 0.0000000), wk = 0.0033223 k( 88) = ( 0.1944444 0.1944444 -0.0000000), wk = 0.0033223 k( 89) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0033223 k( 90) = ( 0.1805556 0.1805556 0.0000000), wk = 0.0033223 k( 91) = ( 0.1736111 0.1736111 0.0000000), wk = 0.0033223 k( 92) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0033223 k( 93) = ( 0.1597222 0.1597222 -0.0000000), wk = 0.0033223 k( 94) = ( 0.1527778 0.1527778 0.0000000), wk = 0.0033223 k( 95) = ( 0.1458333 0.1458333 0.0000000), wk = 0.0033223 k( 96) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0033223 k( 97) = ( 0.1319444 0.1319444 -0.0000000), wk = 0.0033223 k( 98) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0033223 k( 99) = ( 0.1180556 0.1180556 0.0000000), wk = 0.0033223 k( 100) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0033223 k( 101) = ( 0.1041667 0.1041667 0.0000000), wk = 0.0033223 k( 102) = ( 0.0972222 0.0972222 -0.0000000), wk = 0.0033223 k( 103) = ( 0.0902778 0.0902778 0.0000000), wk = 0.0033223 k( 104) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0033223 k( 105) = ( 0.0763889 0.0763889 0.0000000), wk = 0.0033223 k( 106) = ( 0.0694444 0.0694444 0.0000000), wk = 0.0033223 k( 107) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0033223 k( 108) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0033223 k( 109) = ( 0.0486111 0.0486111 -0.0000000), wk = 0.0033223 k( 110) = ( 0.0416667 0.0416667 0.0000000), wk = 0.0033223 k( 111) = ( 0.0347222 0.0347222 0.0000000), wk = 0.0033223 k( 112) = ( 0.0277778 0.0277778 0.0000000), wk = 0.0033223 k( 113) = ( 0.0208333 0.0208333 0.0000000), wk = 0.0033223 k( 114) = ( 0.0138889 0.0138889 0.0000000), wk = 0.0033223 k( 115) = ( 0.0069444 0.0069444 0.0000000), wk = 0.0033223 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 118) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0033223 k( 119) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0033223 k( 120) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0033223 k( 121) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0033223 k( 122) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0033223 k( 123) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0033223 k( 124) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0033223 k( 125) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0033223 k( 126) = ( 0.0000000 0.0000000 0.2045454), wk = 0.0033223 k( 127) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0033223 k( 128) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0033223 k( 129) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0033223 k( 130) = ( 0.0000000 0.0000000 0.2954545), wk = 0.0033223 k( 131) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0033223 k( 132) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0033223 k( 133) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0033223 k( 134) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0033223 k( 135) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0033223 k( 136) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0033223 k( 137) = ( 0.0000000 0.0000000 0.4545454), wk = 0.0033223 k( 138) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0033223 k( 139) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033223 k( 140) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033223 k( 141) = ( 0.0121951 0.0000000 0.5000000), wk = 0.0033223 k( 142) = ( 0.0243902 0.0000000 0.5000000), wk = 0.0033223 k( 143) = ( 0.0365854 0.0000000 0.5000000), wk = 0.0033223 k( 144) = ( 0.0487805 0.0000000 0.5000000), wk = 0.0033223 k( 145) = ( 0.0609756 0.0000000 0.5000000), wk = 0.0033223 k( 146) = ( 0.0731707 0.0000000 0.5000000), wk = 0.0033223 k( 147) = ( 0.0853658 0.0000000 0.5000000), wk = 0.0033223 k( 148) = ( 0.0975610 0.0000000 0.5000000), wk = 0.0033223 k( 149) = ( 0.1097561 0.0000000 0.5000000), wk = 0.0033223 k( 150) = ( 0.1219512 0.0000000 0.5000000), wk = 0.0033223 k( 151) = ( 0.1341463 0.0000000 0.5000000), wk = 0.0033223 k( 152) = ( 0.1463415 0.0000000 0.5000000), wk = 0.0033223 k( 153) = ( 0.1585366 0.0000000 0.5000000), wk = 0.0033223 k( 154) = ( 0.1707317 0.0000000 0.5000000), wk = 0.0033223 k( 155) = ( 0.1829268 0.0000000 0.5000000), wk = 0.0033223 k( 156) = ( 0.1951219 0.0000000 0.5000000), wk = 0.0033223 k( 157) = ( 0.2073171 -0.0000000 0.5000000), wk = 0.0033223 k( 158) = ( 0.2195122 0.0000000 0.5000000), wk = 0.0033223 k( 159) = ( 0.2317073 0.0000000 0.5000000), wk = 0.0033223 k( 160) = ( 0.2439024 0.0000000 0.5000000), wk = 0.0033223 k( 161) = ( 0.2560976 0.0000000 0.5000000), wk = 0.0033223 k( 162) = ( 0.2682927 0.0000000 0.5000000), wk = 0.0033223 k( 163) = ( 0.2804878 0.0000000 0.5000000), wk = 0.0033223 k( 164) = ( 0.2926829 -0.0000000 0.5000000), wk = 0.0033223 k( 165) = ( 0.3048781 0.0000000 0.5000000), wk = 0.0033223 k( 166) = ( 0.3170732 0.0000000 0.5000000), wk = 0.0033223 k( 167) = ( 0.3292683 0.0000000 0.5000000), wk = 0.0033223 k( 168) = ( 0.3414634 0.0000000 0.5000000), wk = 0.0033223 k( 169) = ( 0.3536585 0.0000000 0.5000000), wk = 0.0033223 k( 170) = ( 0.3658537 0.0000000 0.5000000), wk = 0.0033223 k( 171) = ( 0.3780488 0.0000000 0.5000000), wk = 0.0033223 k( 172) = ( 0.3902439 0.0000000 0.5000000), wk = 0.0033223 k( 173) = ( 0.4024390 0.0000000 0.5000000), wk = 0.0033223 k( 174) = ( 0.4146341 0.0000000 0.5000000), wk = 0.0033223 k( 175) = ( 0.4268293 -0.0000000 0.5000000), wk = 0.0033223 k( 176) = ( 0.4390244 0.0000000 0.5000000), wk = 0.0033223 k( 177) = ( 0.4512195 0.0000000 0.5000000), wk = 0.0033223 k( 178) = ( 0.4634146 0.0000000 0.5000000), wk = 0.0033223 k( 179) = ( 0.4756098 0.0000000 0.5000000), wk = 0.0033223 k( 180) = ( 0.4878049 0.0000000 0.5000000), wk = 0.0033223 k( 181) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033223 k( 182) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033223 k( 183) = ( 0.4930556 0.0138889 0.5000000), wk = 0.0033223 k( 184) = ( 0.4861111 0.0277778 0.5000000), wk = 0.0033223 k( 185) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0033223 k( 186) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0033223 k( 187) = ( 0.4652778 0.0694444 0.5000000), wk = 0.0033223 k( 188) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0033223 k( 189) = ( 0.4513889 0.0972222 0.5000000), wk = 0.0033223 k( 190) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0033223 k( 191) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0033223 k( 192) = ( 0.4305556 0.1388889 0.5000000), wk = 0.0033223 k( 193) = ( 0.4236111 0.1527778 0.5000000), wk = 0.0033223 k( 194) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0033223 k( 195) = ( 0.4097222 0.1805556 0.5000000), wk = 0.0033223 k( 196) = ( 0.4027778 0.1944444 0.5000000), wk = 0.0033223 k( 197) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0033223 k( 198) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0033223 k( 199) = ( 0.3819444 0.2361111 0.5000000), wk = 0.0033223 k( 200) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0033223 k( 201) = ( 0.3680556 0.2638889 0.5000000), wk = 0.0033223 k( 202) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0033223 k( 203) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0033223 k( 204) = ( 0.3472222 0.3055556 0.5000000), wk = 0.0033223 k( 205) = ( 0.3402778 0.3194444 0.5000000), wk = 0.0033223 k( 206) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033223 k( 207) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033223 k( 208) = ( 0.3263889 0.3263889 0.5000000), wk = 0.0033223 k( 209) = ( 0.3194444 0.3194444 0.5000000), wk = 0.0033223 k( 210) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0033223 k( 211) = ( 0.3055556 0.3055556 0.5000000), wk = 0.0033223 k( 212) = ( 0.2986111 0.2986111 0.5000000), wk = 0.0033223 k( 213) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0033223 k( 214) = ( 0.2847222 0.2847222 0.5000000), wk = 0.0033223 k( 215) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0033223 k( 216) = ( 0.2708333 0.2708333 0.5000000), wk = 0.0033223 k( 217) = ( 0.2638889 0.2638889 0.5000000), wk = 0.0033223 k( 218) = ( 0.2569444 0.2569444 0.5000000), wk = 0.0033223 k( 219) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0033223 k( 220) = ( 0.2430556 0.2430556 0.5000000), wk = 0.0033223 k( 221) = ( 0.2361111 0.2361111 0.5000000), wk = 0.0033223 k( 222) = ( 0.2291667 0.2291667 0.5000000), wk = 0.0033223 k( 223) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0033223 k( 224) = ( 0.2152778 0.2152778 0.5000000), wk = 0.0033223 k( 225) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0033223 k( 226) = ( 0.2013889 0.2013889 0.5000000), wk = 0.0033223 k( 227) = ( 0.1944444 0.1944444 0.5000000), wk = 0.0033223 k( 228) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0033223 k( 229) = ( 0.1805556 0.1805556 0.5000000), wk = 0.0033223 k( 230) = ( 0.1736111 0.1736111 0.5000000), wk = 0.0033223 k( 231) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0033223 k( 232) = ( 0.1597222 0.1597222 0.5000000), wk = 0.0033223 k( 233) = ( 0.1527778 0.1527778 0.5000000), wk = 0.0033223 k( 234) = ( 0.1458333 0.1458333 0.5000000), wk = 0.0033223 k( 235) = ( 0.1388889 0.1388889 0.5000000), wk = 0.0033223 k( 236) = ( 0.1319444 0.1319444 0.5000000), wk = 0.0033223 k( 237) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0033223 k( 238) = ( 0.1180556 0.1180556 0.5000000), wk = 0.0033223 k( 239) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0033223 k( 240) = ( 0.1041667 0.1041667 0.5000000), wk = 0.0033223 k( 241) = ( 0.0972222 0.0972222 0.5000000), wk = 0.0033223 k( 242) = ( 0.0902778 0.0902778 0.5000000), wk = 0.0033223 k( 243) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0033223 k( 244) = ( 0.0763889 0.0763889 0.5000000), wk = 0.0033223 k( 245) = ( 0.0694444 0.0694444 0.5000000), wk = 0.0033223 k( 246) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0033223 k( 247) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0033223 k( 248) = ( 0.0486111 0.0486111 0.5000000), wk = 0.0033223 k( 249) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0033223 k( 250) = ( 0.0347222 0.0347222 0.5000000), wk = 0.0033223 k( 251) = ( 0.0277778 0.0277778 0.5000000), wk = 0.0033223 k( 252) = ( 0.0208333 0.0208333 0.5000000), wk = 0.0033223 k( 253) = ( 0.0138889 0.0138889 0.5000000), wk = 0.0033223 k( 254) = ( 0.0069444 0.0069444 0.5000000), wk = 0.0033223 k( 255) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033223 k( 256) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033223 k( 257) = ( 0.5000000 0.0000000 0.4772727), wk = 0.0033223 k( 258) = ( 0.5000000 0.0000000 0.4545454), wk = 0.0033223 k( 259) = ( 0.5000000 0.0000000 0.4318182), wk = 0.0033223 k( 260) = ( 0.5000000 0.0000000 0.4090909), wk = 0.0033223 k( 261) = ( 0.5000000 0.0000000 0.3863636), wk = 0.0033223 k( 262) = ( 0.5000000 0.0000000 0.3636364), wk = 0.0033223 k( 263) = ( 0.5000000 0.0000000 0.3409091), wk = 0.0033223 k( 264) = ( 0.5000000 0.0000000 0.3181818), wk = 0.0033223 k( 265) = ( 0.5000000 0.0000000 0.2954545), wk = 0.0033223 k( 266) = ( 0.5000000 0.0000000 0.2727273), wk = 0.0033223 k( 267) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0033223 k( 268) = ( 0.5000000 0.0000000 0.2272727), wk = 0.0033223 k( 269) = ( 0.5000000 0.0000000 0.2045454), wk = 0.0033223 k( 270) = ( 0.5000000 0.0000000 0.1818182), wk = 0.0033223 k( 271) = ( 0.5000000 0.0000000 0.1590909), wk = 0.0033223 k( 272) = ( 0.5000000 0.0000000 0.1363636), wk = 0.0033223 k( 273) = ( 0.5000000 0.0000000 0.1136364), wk = 0.0033223 k( 274) = ( 0.5000000 0.0000000 0.0909091), wk = 0.0033223 k( 275) = ( 0.5000000 0.0000000 0.0681818), wk = 0.0033223 k( 276) = ( 0.5000000 0.0000000 0.0454545), wk = 0.0033223 k( 277) = ( 0.5000000 0.0000000 0.0227273), wk = 0.0033223 k( 278) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033223 k( 279) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033223 k( 280) = ( 0.3333333 0.3333333 0.0227273), wk = 0.0033223 k( 281) = ( 0.3333333 0.3333333 0.0454546), wk = 0.0033223 k( 282) = ( 0.3333333 0.3333333 0.0681818), wk = 0.0033223 k( 283) = ( 0.3333333 0.3333333 0.0909091), wk = 0.0033223 k( 284) = ( 0.3333333 0.3333333 0.1136364), wk = 0.0033223 k( 285) = ( 0.3333333 0.3333333 0.1363636), wk = 0.0033223 k( 286) = ( 0.3333333 0.3333333 0.1590909), wk = 0.0033223 k( 287) = ( 0.3333333 0.3333333 0.1818182), wk = 0.0033223 k( 288) = ( 0.3333333 0.3333333 0.2045454), wk = 0.0033223 k( 289) = ( 0.3333333 0.3333333 0.2272727), wk = 0.0033223 k( 290) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0033223 k( 291) = ( 0.3333333 0.3333333 0.2727273), wk = 0.0033223 k( 292) = ( 0.3333333 0.3333333 0.2954545), wk = 0.0033223 k( 293) = ( 0.3333333 0.3333333 0.3181818), wk = 0.0033223 k( 294) = ( 0.3333333 0.3333333 0.3409091), wk = 0.0033223 k( 295) = ( 0.3333333 0.3333333 0.3636364), wk = 0.0033223 k( 296) = ( 0.3333333 0.3333333 0.3863636), wk = 0.0033223 k( 297) = ( 0.3333333 0.3333333 0.4090909), wk = 0.0033223 k( 298) = ( 0.3333333 0.3333333 0.4318182), wk = 0.0033223 k( 299) = ( 0.3333333 0.3333333 0.4545455), wk = 0.0033223 k( 300) = ( 0.3333333 0.3333333 0.4772727), wk = 0.0033223 k( 301) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033223 Dense grid: 115419 G-vectors FFT dimensions: ( 60, 60, 90) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.45 Mb ( 608, 48) NL pseudopotentials 0.76 Mb ( 304, 164) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2404) G-vector shells 0.01 Mb ( 1148) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.78 Mb ( 608, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.24 Mb ( 164, 2, 48) The potential is recalculated from file : ./LiZnSb.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 44.0 secs Computing kpt #: 2 total cpu time spent up to now is 47.2 secs Computing kpt #: 3 total cpu time spent up to now is 49.7 secs Computing kpt #: 4 total cpu time spent up to now is 52.5 secs Computing kpt #: 5 total cpu time spent up to now is 55.5 secs Computing kpt #: 6 total cpu time spent up to now is 58.5 secs Computing kpt #: 7 total cpu time spent up to now is 64.1 secs Computing kpt #: 8 total cpu time spent up to now is 67.3 secs Computing kpt #: 9 total cpu time spent up to now is 70.4 secs Computing kpt #: 10 total cpu time spent up to now is 73.6 secs Computing kpt #: 11 total cpu time spent up to now is 76.8 secs Computing kpt #: 12 total cpu time spent up to now is 82.5 secs Computing kpt #: 13 total cpu time spent up to now is 85.8 secs Computing kpt #: 14 total cpu time spent up to now is 89.0 secs Computing kpt #: 15 total cpu time spent up to now is 92.3 secs Computing kpt #: 16 total cpu time spent up to now is 95.6 secs Computing kpt #: 17 total cpu time spent up to now is 100.9 secs Computing kpt #: 18 total cpu time spent up to now is 105.5 secs Computing kpt #: 19 total cpu time spent up to now is 108.7 secs Computing kpt #: 20 total cpu time spent up to now is 112.1 secs Computing kpt #: 21 total cpu time spent up to now is 115.4 secs Computing kpt #: 22 total cpu time spent up to now is 120.8 secs Computing kpt #: 23 total cpu time spent up to now is 123.9 secs Computing kpt #: 24 total cpu time spent up to now is 127.1 secs Computing kpt #: 25 total cpu time spent up to now is 130.1 secs Computing kpt #: 26 total cpu time spent up to now is 133.2 secs Computing kpt #: 27 total cpu time spent up to now is 139.9 secs Computing kpt #: 28 total cpu time spent up to now is 142.9 secs Computing kpt #: 29 total cpu time spent up to now is 145.7 secs Computing kpt #: 30 total cpu time spent up to now is 148.6 secs Computing kpt #: 31 total cpu time spent up to now is 151.6 secs Computing kpt #: 32 total cpu time spent up to now is 157.3 secs Computing kpt #: 33 total cpu time spent up to now is 159.9 secs Computing kpt #: 34 total cpu time spent up to now is 162.9 secs Computing kpt #: 35 total cpu time spent up to now is 166.3 secs Computing kpt #: 36 total cpu time spent up to now is 169.5 secs Computing kpt #: 37 total cpu time spent up to now is 175.5 secs Computing kpt #: 38 total cpu time spent up to now is 179.9 secs Computing kpt #: 39 total cpu time spent up to now is 183.2 secs Computing kpt #: 40 total cpu time spent up to now is 185.8 secs Computing kpt #: 41 total cpu time spent up to now is 188.3 secs Computing kpt #: 42 total cpu time spent up to now is 191.6 secs Computing kpt #: 43 total cpu time spent up to now is 195.9 secs Computing kpt #: 44 total cpu time spent up to now is 198.5 secs Computing kpt #: 45 total cpu time spent up to now is 201.7 secs Computing kpt #: 46 total cpu time spent up to now is 204.3 secs Computing kpt #: 47 total cpu time spent up to now is 207.0 secs Computing kpt #: 48 total cpu time spent up to now is 212.3 secs Computing kpt #: 49 total cpu time spent up to now is 215.5 secs Computing kpt #: 50 total cpu time spent up to now is 218.2 secs Computing kpt #: 51 total cpu time spent up to now is 220.8 secs Computing kpt #: 52 total cpu time spent up to now is 223.5 secs Computing kpt #: 53 total cpu time spent up to now is 228.1 secs Computing kpt #: 54 total cpu time spent up to now is 232.5 secs Computing kpt #: 55 total cpu time spent up to now is 235.6 secs Computing kpt #: 56 total cpu time spent up to now is 238.7 secs Computing kpt #: 57 total cpu time spent up to now is 244.9 secs Computing kpt #: 58 total cpu time spent up to now is 247.9 secs Computing kpt #: 59 total cpu time spent up to now is 251.0 secs Computing kpt #: 60 total cpu time spent up to now is 254.5 secs Computing kpt #: 61 total cpu time spent up to now is 258.3 secs Computing kpt #: 62 total cpu time spent up to now is 264.4 secs Computing kpt #: 63 total cpu time spent up to now is 269.7 secs Computing kpt #: 64 total cpu time spent up to now is 273.4 secs Computing kpt #: 65 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 279.7 secs Computing kpt #: 66 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 288.2 secs Computing kpt #: 67 total cpu time spent up to now is 292.6 secs Computing kpt #: 68 total cpu time spent up to now is 297.2 secs Computing kpt #: 69 total cpu time spent up to now is 303.7 secs Computing kpt #: 70 total cpu time spent up to now is 307.7 secs Computing kpt #: 71 total cpu time spent up to now is 311.8 secs Computing kpt #: 72 total cpu time spent up to now is 315.1 secs Computing kpt #: 73 total cpu time spent up to now is 320.9 secs Computing kpt #: 74 total cpu time spent up to now is 324.2 secs Computing kpt #: 75 total cpu time spent up to now is 327.2 secs Computing kpt #: 76 total cpu time spent up to now is 330.7 secs Computing kpt #: 77 total cpu time spent up to now is 334.0 secs Computing kpt #: 78 total cpu time spent up to now is 340.0 secs Computing kpt #: 79 total cpu time spent up to now is 344.0 secs Computing kpt #: 80 total cpu time spent up to now is 348.4 secs Computing kpt #: 81 total cpu time spent up to now is 353.0 secs Computing kpt #: 82 total cpu time spent up to now is 358.1 secs Computing kpt #: 83 total cpu time spent up to now is 361.7 secs Computing kpt #: 84 total cpu time spent up to now is 364.9 secs Computing kpt #: 85 total cpu time spent up to now is 368.3 secs Computing kpt #: 86 total cpu time spent up to now is 374.0 secs Computing kpt #: 87 total cpu time spent up to now is 377.5 secs Computing kpt #: 88 total cpu time spent up to now is 380.6 secs Computing kpt #: 89 total cpu time spent up to now is 384.1 secs Computing kpt #: 90 total cpu time spent up to now is 387.2 secs Computing kpt #: 91 total cpu time spent up to now is 392.6 secs Computing kpt #: 92 total cpu time spent up to now is 395.7 secs Computing kpt #: 93 total cpu time spent up to now is 398.9 secs Computing kpt #: 94 total cpu time spent up to now is 402.0 secs Computing kpt #: 95 total cpu time spent up to now is 406.0 secs Computing kpt #: 96 total cpu time spent up to now is 411.2 secs Computing kpt #: 97 total cpu time spent up to now is 414.5 secs Computing kpt #: 98 total cpu time spent up to now is 417.7 secs Computing kpt #: 99 total cpu time spent up to now is 421.3 secs Computing kpt #: 100 total cpu time spent up to now is 424.4 secs Computing kpt #: 101 total cpu time spent up to now is 429.9 secs Computing kpt #: 102 total cpu time spent up to now is 433.1 secs Computing kpt #: 103 total cpu time spent up to now is 436.2 secs Computing kpt #: 104 total cpu time spent up to now is 439.4 secs Computing kpt #: 105 total cpu time spent up to now is 442.8 secs Computing kpt #: 106 total cpu time spent up to now is 449.1 secs Computing kpt #: 107 total cpu time spent up to now is 452.2 secs Computing kpt #: 108 total cpu time spent up to now is 455.4 secs Computing kpt #: 109 total cpu time spent up to now is 459.1 secs Computing kpt #: 110 total cpu time spent up to now is 462.4 secs Computing kpt #: 111 total cpu time spent up to now is 465.4 secs Computing kpt #: 112 total cpu time spent up to now is 471.4 secs Computing kpt #: 113 total cpu time spent up to now is 475.0 secs Computing kpt #: 114 total cpu time spent up to now is 479.6 secs Computing kpt #: 115 total cpu time spent up to now is 482.9 secs Computing kpt #: 116 total cpu time spent up to now is 487.5 secs Computing kpt #: 117 total cpu time spent up to now is 490.3 secs Computing kpt #: 118 total cpu time spent up to now is 493.0 secs Computing kpt #: 119 total cpu time spent up to now is 495.7 secs Computing kpt #: 120 total cpu time spent up to now is 498.6 secs Computing kpt #: 121 total cpu time spent up to now is 504.1 secs Computing kpt #: 122 total cpu time spent up to now is 507.8 secs Computing kpt #: 123 total cpu time spent up to now is 510.8 secs Computing kpt #: 124 total cpu time spent up to now is 513.8 secs Computing kpt #: 125 total cpu time spent up to now is 516.8 secs Computing kpt #: 126 total cpu time spent up to now is 519.8 secs Computing kpt #: 127 total cpu time spent up to now is 523.0 secs Computing kpt #: 128 total cpu time spent up to now is 529.3 secs Computing kpt #: 129 total cpu time spent up to now is 532.4 secs Computing kpt #: 130 total cpu time spent up to now is 535.3 secs Computing kpt #: 131 total cpu time spent up to now is 538.3 secs Computing kpt #: 132 total cpu time spent up to now is 541.2 secs Computing kpt #: 133 total cpu time spent up to now is 544.3 secs Computing kpt #: 134 total cpu time spent up to now is 550.2 secs Computing kpt #: 135 total cpu time spent up to now is 553.8 secs Computing kpt #: 136 total cpu time spent up to now is 557.0 secs Computing kpt #: 137 total cpu time spent up to now is 560.5 secs Computing kpt #: 138 total cpu time spent up to now is 564.3 secs Computing kpt #: 139 total cpu time spent up to now is 570.1 secs Computing kpt #: 140 total cpu time spent up to now is 573.5 secs Computing kpt #: 141 total cpu time spent up to now is 577.0 secs Computing kpt #: 142 total cpu time spent up to now is 581.2 secs Computing kpt #: 143 total cpu time spent up to now is 585.1 secs Computing kpt #: 144 total cpu time spent up to now is 588.7 secs Computing kpt #: 145 total cpu time spent up to now is 592.1 secs Computing kpt #: 146 total cpu time spent up to now is 595.8 secs Computing kpt #: 147 total cpu time spent up to now is 599.3 secs Computing kpt #: 148 total cpu time spent up to now is 602.6 secs Computing kpt #: 149 total cpu time spent up to now is 606.4 secs Computing kpt #: 150 total cpu time spent up to now is 610.0 secs Computing kpt #: 151 total cpu time spent up to now is 613.4 secs Computing kpt #: 152 total cpu time spent up to now is 617.1 secs Computing kpt #: 153 total cpu time spent up to now is 620.5 secs Computing kpt #: 154 total cpu time spent up to now is 624.4 secs Computing kpt #: 155 total cpu time spent up to now is 628.4 secs Computing kpt #: 156 total cpu time spent up to now is 631.8 secs Computing kpt #: 157 total cpu time spent up to now is 635.3 secs Computing kpt #: 158 total cpu time spent up to now is 638.7 secs Computing kpt #: 159 total cpu time spent up to now is 642.0 secs Computing kpt #: 160 total cpu time spent up to now is 645.2 secs Computing kpt #: 161 total cpu time spent up to now is 648.3 secs Computing kpt #: 162 total cpu time spent up to now is 651.3 secs Computing kpt #: 163 total cpu time spent up to now is 654.2 secs Computing kpt #: 164 total cpu time spent up to now is 656.8 secs Computing kpt #: 165 total cpu time spent up to now is 659.4 secs Computing kpt #: 166 total cpu time spent up to now is 662.1 secs Computing kpt #: 167 total cpu time spent up to now is 664.6 secs Computing kpt #: 168 total cpu time spent up to now is 667.1 secs Computing kpt #: 169 total cpu time spent up to now is 669.5 secs Computing kpt #: 170 total cpu time spent up to now is 672.3 secs Computing kpt #: 171 total cpu time spent up to now is 674.8 secs Computing kpt #: 172 total cpu time spent up to now is 678.4 secs Computing kpt #: 173 total cpu time spent up to now is 680.8 secs Computing kpt #: 174 total cpu time spent up to now is 683.2 secs Computing kpt #: 175 total cpu time spent up to now is 685.6 secs Computing kpt #: 176 total cpu time spent up to now is 688.0 secs Computing kpt #: 177 total cpu time spent up to now is 690.5 secs Computing kpt #: 178 total cpu time spent up to now is 692.8 secs Computing kpt #: 179 total cpu time spent up to now is 695.2 secs Computing kpt #: 180 total cpu time spent up to now is 697.6 secs Computing kpt #: 181 total cpu time spent up to now is 699.9 secs Computing kpt #: 182 total cpu time spent up to now is 702.3 secs Computing kpt #: 183 total cpu time spent up to now is 704.8 secs Computing kpt #: 184 total cpu time spent up to now is 707.3 secs Computing kpt #: 185 total cpu time spent up to now is 709.7 secs Computing kpt #: 186 total cpu time spent up to now is 712.1 secs Computing kpt #: 187 total cpu time spent up to now is 714.6 secs Computing kpt #: 188 total cpu time spent up to now is 717.1 secs Computing kpt #: 189 total cpu time spent up to now is 719.8 secs Computing kpt #: 190 total cpu time spent up to now is 722.4 secs Computing kpt #: 191 total cpu time spent up to now is 725.8 secs Computing kpt #: 192 total cpu time spent up to now is 728.4 secs Computing kpt #: 193 total cpu time spent up to now is 731.2 secs Computing kpt #: 194 total cpu time spent up to now is 734.4 secs Computing kpt #: 195 total cpu time spent up to now is 737.6 secs Computing kpt #: 196 total cpu time spent up to now is 741.0 secs Computing kpt #: 197 total cpu time spent up to now is 744.0 secs Computing kpt #: 198 total cpu time spent up to now is 747.1 secs Computing kpt #: 199 total cpu time spent up to now is 750.2 secs Computing kpt #: 200 total cpu time spent up to now is 753.3 secs Computing kpt #: 201 total cpu time spent up to now is 756.3 secs Computing kpt #: 202 total cpu time spent up to now is 759.3 secs Computing kpt #: 203 total cpu time spent up to now is 762.2 secs Computing kpt #: 204 total cpu time spent up to now is 765.9 secs Computing kpt #: 205 total cpu time spent up to now is 768.8 secs Computing kpt #: 206 total cpu time spent up to now is 771.4 secs Computing kpt #: 207 total cpu time spent up to now is 774.9 secs Computing kpt #: 208 total cpu time spent up to now is 778.5 secs Computing kpt #: 209 total cpu time spent up to now is 781.6 secs Computing kpt #: 210 total cpu time spent up to now is 784.4 secs Computing kpt #: 211 total cpu time spent up to now is 787.3 secs Computing kpt #: 212 total cpu time spent up to now is 790.2 secs Computing kpt #: 213 total cpu time spent up to now is 793.4 secs Computing kpt #: 214 total cpu time spent up to now is 796.5 secs Computing kpt #: 215 total cpu time spent up to now is 799.6 secs Computing kpt #: 216 total cpu time spent up to now is 803.1 secs Computing kpt #: 217 total cpu time spent up to now is 806.1 secs Computing kpt #: 218 total cpu time spent up to now is 809.2 secs Computing kpt #: 219 total cpu time spent up to now is 812.5 secs Computing kpt #: 220 total cpu time spent up to now is 815.6 secs Computing kpt #: 221 total cpu time spent up to now is 818.8 secs Computing kpt #: 222 total cpu time spent up to now is 821.9 secs Computing kpt #: 223 total cpu time spent up to now is 824.9 secs Computing kpt #: 224 total cpu time spent up to now is 828.0 secs Computing kpt #: 225 total cpu time spent up to now is 832.2 secs Computing kpt #: 226 total cpu time spent up to now is 835.6 secs Computing kpt #: 227 total cpu time spent up to now is 839.0 secs Computing kpt #: 228 total cpu time spent up to now is 842.5 secs Computing kpt #: 229 total cpu time spent up to now is 845.7 secs Computing kpt #: 230 total cpu time spent up to now is 848.9 secs Computing kpt #: 231 total cpu time spent up to now is 852.2 secs Computing kpt #: 232 total cpu time spent up to now is 855.3 secs Computing kpt #: 233 total cpu time spent up to now is 858.6 secs Computing kpt #: 234 total cpu time spent up to now is 861.8 secs Computing kpt #: 235 total cpu time spent up to now is 864.9 secs Computing kpt #: 236 total cpu time spent up to now is 868.0 secs Computing kpt #: 237 total cpu time spent up to now is 871.0 secs Computing kpt #: 238 total cpu time spent up to now is 874.2 secs Computing kpt #: 239 total cpu time spent up to now is 877.2 secs Computing kpt #: 240 total cpu time spent up to now is 880.2 secs Computing kpt #: 241 total cpu time spent up to now is 883.2 secs Computing kpt #: 242 total cpu time spent up to now is 886.3 secs Computing kpt #: 243 total cpu time spent up to now is 889.5 secs Computing kpt #: 244 total cpu time spent up to now is 892.6 secs Computing kpt #: 245 total cpu time spent up to now is 895.9 secs Computing kpt #: 246 total cpu time spent up to now is 899.2 secs Computing kpt #: 247 total cpu time spent up to now is 902.5 secs Computing kpt #: 248 total cpu time spent up to now is 905.8 secs Computing kpt #: 249 total cpu time spent up to now is 909.1 secs Computing kpt #: 250 total cpu time spent up to now is 912.9 secs Computing kpt #: 251 total cpu time spent up to now is 917.4 secs Computing kpt #: 252 total cpu time spent up to now is 921.4 secs Computing kpt #: 253 total cpu time spent up to now is 925.5 secs Computing kpt #: 254 total cpu time spent up to now is 931.3 secs Computing kpt #: 255 total cpu time spent up to now is 934.6 secs Computing kpt #: 256 total cpu time spent up to now is 937.3 secs Computing kpt #: 257 total cpu time spent up to now is 939.7 secs Computing kpt #: 258 total cpu time spent up to now is 942.3 secs Computing kpt #: 259 total cpu time spent up to now is 944.8 secs Computing kpt #: 260 total cpu time spent up to now is 947.2 secs Computing kpt #: 261 total cpu time spent up to now is 949.7 secs Computing kpt #: 262 total cpu time spent up to now is 952.2 secs Computing kpt #: 263 total cpu time spent up to now is 954.7 secs Computing kpt #: 264 total cpu time spent up to now is 957.2 secs Computing kpt #: 265 total cpu time spent up to now is 959.9 secs Computing kpt #: 266 total cpu time spent up to now is 962.5 secs Computing kpt #: 267 total cpu time spent up to now is 965.5 secs Computing kpt #: 268 total cpu time spent up to now is 968.5 secs Computing kpt #: 269 total cpu time spent up to now is 971.7 secs Computing kpt #: 270 total cpu time spent up to now is 974.7 secs Computing kpt #: 271 total cpu time spent up to now is 977.9 secs Computing kpt #: 272 total cpu time spent up to now is 980.9 secs Computing kpt #: 273 total cpu time spent up to now is 983.5 secs Computing kpt #: 274 total cpu time spent up to now is 986.1 secs Computing kpt #: 275 total cpu time spent up to now is 988.7 secs Computing kpt #: 276 total cpu time spent up to now is 991.3 secs Computing kpt #: 277 total cpu time spent up to now is 993.7 secs Computing kpt #: 278 total cpu time spent up to now is 996.6 secs Computing kpt #: 279 total cpu time spent up to now is 1001.1 secs Computing kpt #: 280 total cpu time spent up to now is 1005.9 secs Computing kpt #: 281 total cpu time spent up to now is 1011.7 secs Computing kpt #: 282 total cpu time spent up to now is 1016.2 secs Computing kpt #: 283 total cpu time spent up to now is 1020.2 secs Computing kpt #: 284 total cpu time spent up to now is 1024.0 secs Computing kpt #: 285 total cpu time spent up to now is 1027.7 secs Computing kpt #: 286 total cpu time spent up to now is 1031.6 secs Computing kpt #: 287 total cpu time spent up to now is 1036.1 secs Computing kpt #: 288 total cpu time spent up to now is 1040.5 secs Computing kpt #: 289 total cpu time spent up to now is 1045.0 secs Computing kpt #: 290 total cpu time spent up to now is 1049.7 secs Computing kpt #: 291 total cpu time spent up to now is 1054.0 secs Computing kpt #: 292 total cpu time spent up to now is 1059.1 secs Computing kpt #: 293 total cpu time spent up to now is 1063.0 secs Computing kpt #: 294 total cpu time spent up to now is 1066.4 secs Computing kpt #: 295 total cpu time spent up to now is 1069.9 secs Computing kpt #: 296 total cpu time spent up to now is 1073.0 secs Computing kpt #: 297 total cpu time spent up to now is 1078.1 secs Computing kpt #: 298 total cpu time spent up to now is 1081.5 secs Computing kpt #: 299 total cpu time spent up to now is 1084.2 secs Computing kpt #: 300 total cpu time spent up to now is 1087.2 secs Computing kpt #: 301 total cpu time spent up to now is 1089.7 secs ethr = 2.50E-11, avg # of iterations = 29.6 total cpu time spent up to now is 1089.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 14485 PWs) bands (ev): -40.5986 -40.5986 -40.5977 -40.5977 -4.3917 -4.3917 -3.2856 -3.2856 -1.1730 -1.1730 -1.1506 -1.1506 -1.1302 -1.1302 -0.9820 -0.9820 -0.8773 -0.8773 -0.8261 -0.8261 -0.7509 -0.7509 -0.7446 -0.7446 -0.7025 -0.7025 -0.5108 -0.5108 1.0057 1.0057 5.3659 5.3659 5.7510 5.7510 6.2266 6.2266 6.8336 6.8336 7.0175 7.0175 7.1885 7.1885 7.5813 7.5813 8.6974 8.6974 8.7525 8.7525 k = 0.0122 0.0070-0.0000 ( 14495 PWs) bands (ev): -40.5986 -40.5986 -40.5977 -40.5977 -4.3907 -4.3907 -3.2851 -3.2846 -1.1729 -1.1729 -1.1505 -1.1505 -1.1312 -1.1292 -0.9856 -0.9784 -0.8779 -0.8766 -0.8269 -0.8253 -0.7513 -0.7504 -0.7446 -0.7446 -0.7025 -0.7025 -0.5131 -0.5082 1.0049 1.0083 5.3451 5.3644 5.7346 5.7352 6.2117 6.2333 6.8153 6.8194 6.9949 7.0437 7.1967 7.2146 7.5804 7.6028 8.6961 8.7061 8.7557 8.7558 k = 0.0244 0.0141-0.0000 ( 14511 PWs) bands (ev): -40.5986 -40.5986 -40.5977 -40.5977 -4.3874 -4.3874 -3.2829 -3.2820 -1.1727 -1.1727 -1.1503 -1.1503 -1.1321 -1.1282 -0.9891 -0.9748 -0.8783 -0.8757 -0.8276 -0.8244 -0.7516 -0.7500 -0.7447 -0.7447 -0.7026 -0.7026 -0.5152 -0.5054 1.0056 1.0126 5.3014 5.3404 5.6888 5.6930 6.1874 6.2288 6.7632 6.7856 6.9849 7.0575 7.2377 7.2713 7.6034 7.6384 8.7025 8.7217 8.7651 8.7658 k = 0.0366 0.0211-0.0000 ( 14529 PWs) bands (ev): -40.5986 -40.5986 -40.5977 -40.5977 -4.3821 -4.3821 -3.2792 -3.2778 -1.1725 -1.1724 -1.1499 -1.1499 -1.1329 -1.1271 -0.9926 -0.9711 -0.8786 -0.8747 -0.8282 -0.8235 -0.7520 -0.7495 -0.7448 -0.7447 -0.7029 -0.7028 -0.5171 -0.5023 1.0081 1.0185 5.2344 5.2926 5.6237 5.6344 6.1503 6.2075 6.6947 6.7412 6.9797 7.0541 7.3044 7.3498 7.6478 7.6836 8.7166 8.7440 8.7804 8.7826 k = 0.0488 0.0282-0.0000 ( 14533 PWs) bands (ev): -40.5986 -40.5986 -40.5977 -40.5977 -4.3746 -4.3745 -3.2739 -3.2720 -1.1721 -1.1720 -1.1495 -1.1493 -1.1337 -1.1260 -0.9960 -0.9674 -0.8787 -0.8735 -0.8287 -0.8225 -0.7523 -0.7491 -0.7449 -0.7448 -0.7032 -0.7031 -0.5187 -0.4991 1.0121 1.0262 5.1449 5.2197 5.5508 5.5684 6.0971 6.1632 6.6270 6.6922 6.9720 7.0372 7.3854 7.4375 7.7085 7.7380 8.7388 8.7725 8.8015 8.8063 k = 0.0610 0.0352-0.0000 ( 14533 PWs) bands (ev): -40.5986 -40.5986 -40.5977 -40.5977 -4.3649 -4.3649 -3.2671 -3.2648 -1.1716 -1.1714 -1.1488 -1.1486 -1.1344 -1.1249 -0.9994 -0.9637 -0.8786 -0.8722 -0.8290 -0.8215 -0.7527 -0.7486 -0.7450 -0.7448 -0.7036 -0.7035 -0.5200 -0.4956 1.0176 1.0354 5.0360 5.1227 5.4779 5.4998 6.0261 6.0920 6.5698 6.6427 6.9590 7.0112 7.4691 7.5197 7.7823 7.8059 8.7688 8.8068 8.8284 8.8365 k = 0.0732 0.0422-0.0000 ( 14537 PWs) bands (ev): -40.5986 -40.5986 -40.5977 -40.5977 -4.3532 -4.3532 -3.2588 -3.2560 -1.1710 -1.1707 -1.1481 -1.1477 -1.1351 -1.1237 -1.0028 -0.9599 -0.8784 -0.8708 -0.8293 -0.8205 -0.7529 -0.7482 -0.7451 -0.7448 -0.7041 -0.7039 -0.5210 -0.4920 1.0246 1.0463 4.9121 5.0062 5.4073 5.4302 5.9377 5.9957 6.5246 6.5947 6.9399 6.9788 7.5449 7.5844 7.8680 7.8919 8.8065 8.8465 8.8609 8.8728 k = 0.0854 0.0493-0.0000 ( 14539 PWs) bands (ev): -40.5986 -40.5986 -40.5977 -40.5977 -4.3393 -4.3393 -3.2491 -3.2458 -1.1703 -1.1699 -1.1472 -1.1467 -1.1356 -1.1225 -1.0060 -0.9561 -0.8780 -0.8692 -0.8294 -0.8194 -0.7532 -0.7478 -0.7453 -0.7447 -0.7046 -0.7043 -0.5218 -0.4881 1.0329 1.0587 4.7775 4.8762 5.3380 5.3598 5.8339 5.8801 6.4879 6.5484 6.9142 6.9412 7.6069 7.6287 7.9634 7.9931 8.8517 8.8912 8.8992 8.9151 k = 0.0976 0.0563-0.0000 ( 14537 PWs) bands (ev): -40.5986 -40.5986 -40.5977 -40.5977 -4.3234 -4.3234 -3.2380 -3.2342 -1.1696 -1.1689 -1.1463 -1.1454 -1.1361 -1.1213 -1.0092 -0.9523 -0.8773 -0.8675 -0.8293 -0.8183 -0.7534 -0.7474 -0.7455 -0.7445 -0.7052 -0.7048 -0.5222 -0.4841 1.0425 1.0726 4.6361 4.7375 5.2687 5.2880 5.7177 5.7516 6.4550 6.5029 6.8821 6.8993 7.6540 7.6571 8.0633 8.1001 8.9042 8.9402 8.9431 8.9639 k = 0.1098 0.0634-0.0000 ( 14539 PWs) bands (ev): -40.5986 -40.5986 -40.5977 -40.5977 -4.3055 -4.3055 -3.2255 -3.2212 -1.1687 -1.1678 -1.1452 -1.1440 -1.1364 -1.1201 -1.0124 -0.9485 -0.8766 -0.8657 -0.8291 -0.8173 -0.7536 -0.7471 -0.7457 -0.7442 -0.7059 -0.7052 -0.5223 -0.4798 1.0532 1.0878 4.4905 4.5941 5.1985 5.2144 5.5922 5.6152 6.4226 6.4571 6.8440 6.8533 7.6748 7.6883 8.1606 8.2029 8.9635 8.9928 8.9928 9.0196 k = 0.1220 0.0704-0.0000 ( 14539 PWs) bands (ev): -40.5986 -40.5986 -40.5977 -40.5977 -4.2856 -4.2856 -3.2118 -3.2070 -1.1678 -1.1665 -1.1440 -1.1424 -1.1366 -1.1188 -1.0154 -0.9446 -0.8756 -0.8637 -0.8287 -0.8162 -0.7538 -0.7469 -0.7459 -0.7439 -0.7066 -0.7057 -0.5220 -0.4753 1.0648 1.1042 4.3428 4.4484 5.1268 5.1383 5.4602 5.4746 6.3888 6.4100 6.8002 6.8037 7.6854 7.7123 8.2484 8.2938 9.0283 9.0486 9.0489 9.0814 k = 0.1341 0.0774-0.0000 ( 14539 PWs) bands (ev): -40.5986 -40.5986 -40.5977 -40.5977 -4.2637 -4.2637 -3.1969 -3.1916 -1.1668 -1.1651 -1.1426 -1.1407 -1.1365 -1.1176 -1.0184 -0.9407 -0.8744 -0.8617 -0.8281 -0.8152 -0.7539 -0.7467 -0.7460 -0.7434 -0.7073 -0.7062 -0.5215 -0.4706 1.0771 1.1217 4.1946 4.3023 5.0526 5.0582 5.3245 5.3336 6.3524 6.3609 6.7508 6.7514 7.6909 7.7281 8.3218 8.3676 9.0925 9.1080 9.1136 9.1467 k = 0.1463 0.0845-0.0000 ( 14535 PWs) bands (ev): -40.5986 -40.5986 -40.5977 -40.5977 -4.2400 -4.2399 -3.1809 -3.1752 -1.1658 -1.1636 -1.1412 -1.1391 -1.1360 -1.1163 -1.0213 -0.9368 -0.8731 -0.8595 -0.8273 -0.8142 -0.7541 -0.7465 -0.7461 -0.7429 -0.7080 -0.7066 -0.5205 -0.4657 1.0899 1.1401 4.0472 4.1573 4.9710 4.9741 5.1889 5.1969 6.3093 6.3128 6.6951 6.6981 7.6926 7.7373 8.3781 8.4217 9.1518 9.1683 9.1858 9.2095 k = 0.1585 0.0915-0.0000 ( 14523 PWs) bands (ev): -40.5986 -40.5986 -40.5976 -40.5976 -4.2143 -4.2142 -3.1639 -3.1577 -1.1647 -1.1620 -1.1396 -1.1380 -1.1346 -1.1151 -1.0242 -0.9330 -0.8715 -0.8573 -0.8262 -0.8132 -0.7542 -0.7462 -0.7462 -0.7423 -0.7087 -0.7070 -0.5192 -0.4605 1.1030 1.1591 3.9016 4.0143 4.8712 4.8871 5.0591 5.0714 6.2551 6.2700 6.6371 6.6411 7.6913 7.7408 8.4170 8.4564 9.2069 9.2278 9.2541 9.2602 k = 0.1707 0.0986-0.0000 ( 14519 PWs) bands (ev): -40.5985 -40.5985 -40.5976 -40.5976 -4.1869 -4.1868 -3.1461 -3.1394 -1.1635 -1.1603 -1.1380 -1.1371 -1.1323 -1.1138 -1.0269 -0.9291 -0.8698 -0.8549 -0.8249 -0.8123 -0.7543 -0.7461 -0.7459 -0.7417 -0.7093 -0.7073 -0.5174 -0.4550 1.1161 1.1785 3.7587 3.8745 4.7537 4.7837 4.9443 4.9633 6.1980 6.2238 6.5775 6.5811 7.6872 7.7396 8.4398 8.4739 9.2551 9.2843 9.2903 9.3094 k = 0.1829 0.1056-0.0000 ( 14521 PWs) bands (ev): -40.5985 -40.5985 -40.5976 -40.5976 -4.1577 -4.1575 -3.1275 -3.1204 -1.1623 -1.1587 -1.1362 -1.1362 -1.1297 -1.1125 -1.0295 -0.9253 -0.8679 -0.8525 -0.8234 -0.8114 -0.7544 -0.7459 -0.7455 -0.7412 -0.7100 -0.7076 -0.5153 -0.4493 1.1287 1.1979 3.6194 3.7386 4.6200 4.6601 4.8492 4.8718 6.1381 6.1741 6.5168 6.5190 7.6807 7.7342 8.4484 8.4769 9.2902 9.2999 9.3359 9.3515 k = 0.1951 0.1127-0.0000 ( 14515 PWs) bands (ev): -40.5985 -40.5985 -40.5976 -40.5976 -4.1269 -4.1266 -3.1083 -3.1007 -1.1611 -1.1570 -1.1349 -1.1343 -1.1267 -1.1112 -1.0321 -0.9216 -0.8657 -0.8499 -0.8216 -0.8106 -0.7544 -0.7456 -0.7450 -0.7406 -0.7106 -0.7077 -0.5127 -0.4433 1.1406 1.2170 3.4845 3.6074 4.4766 4.5230 4.7682 4.7912 6.0753 6.1210 6.4556 6.4556 7.6719 7.7250 8.4451 8.4681 9.2965 9.3081 9.3811 9.3878 k = 0.2073 0.1197-0.0000 ( 14507 PWs) bands (ev): -40.5985 -40.5985 -40.5976 -40.5976 -4.0944 -4.0942 -3.0886 -3.0806 -1.1598 -1.1555 -1.1332 -1.1322 -1.1234 -1.1099 -1.0345 -0.9180 -0.8634 -0.8474 -0.8195 -0.8098 -0.7545 -0.7451 -0.7445 -0.7400 -0.7111 -0.7078 -0.5096 -0.4370 1.1511 1.2352 3.3548 3.4818 4.3286 4.3795 4.6950 4.7172 6.0097 6.0644 6.3917 6.3945 7.6607 7.7124 8.4320 8.4500 9.2875 9.3140 9.4186 9.4203 k = 0.2195 0.1267-0.0000 ( 14519 PWs) bands (ev): -40.5985 -40.5985 -40.5976 -40.5976 -4.0605 -4.0602 -3.0686 -3.0601 -1.1585 -1.1541 -1.1310 -1.1300 -1.1199 -1.1086 -1.0369 -0.9145 -0.8609 -0.8447 -0.8171 -0.8091 -0.7546 -0.7445 -0.7438 -0.7393 -0.7115 -0.7077 -0.5061 -0.4304 1.1599 1.2521 3.2313 3.3625 4.1787 4.2336 4.6264 4.6475 5.9414 6.0043 6.3283 6.3341 7.6474 7.6968 8.4111 8.4248 9.2781 9.3155 9.4470 9.4479 k = 0.2317 0.1338-0.0000 ( 14521 PWs) bands (ev): -40.5985 -40.5985 -40.5976 -40.5976 -4.0252 -4.0248 -3.0484 -3.0395 -1.1572 -1.1530 -1.1282 -1.1277 -1.1162 -1.1073 -1.0392 -0.9112 -0.8582 -0.8420 -0.8145 -0.8084 -0.7546 -0.7436 -0.7431 -0.7387 -0.7118 -0.7074 -0.5021 -0.4235 1.1664 1.2669 3.1150 3.2503 4.0285 4.0873 4.5610 4.5811 5.8705 5.9406 6.2661 6.2748 7.6319 7.6785 8.3840 8.3942 9.2710 9.3173 9.4666 9.4689 k = 0.2439 0.1408-0.0000 ( 14519 PWs) bands (ev): -40.5985 -40.5985 -40.5976 -40.5976 -3.9886 -3.9881 -3.0282 -3.0189 -1.1560 -1.1520 -1.1252 -1.1248 -1.1122 -1.1060 -1.0413 -0.9081 -0.8554 -0.8393 -0.8116 -0.8077 -0.7546 -0.7424 -0.7424 -0.7379 -0.7120 -0.7071 -0.4976 -0.4164 1.1701 1.2789 3.0068 3.1460 3.8790 3.9418 4.4983 4.5175 5.7973 5.8734 6.2057 6.2170 7.6145 7.6579 8.3525 8.3598 9.2675 9.3215 9.4791 9.4821 k = 0.2561 0.1479-0.0000 ( 14519 PWs) bands (ev): -40.5985 -40.5985 -40.5976 -40.5976 -3.9508 -3.9503 -3.0082 -2.9985 -1.1547 -1.1512 -1.1225 -1.1208 -1.1079 -1.1047 -1.0434 -0.9052 -0.8524 -0.8365 -0.8084 -0.8071 -0.7545 -0.7416 -0.7410 -0.7371 -0.7121 -0.7066 -0.4927 -0.4090 1.1703 1.2873 2.9078 3.0501 3.7307 3.7979 4.4381 4.4566 5.7220 5.8029 6.1478 6.1611 7.5952 7.6353 8.3179 8.3229 9.2682 9.3288 9.4850 9.4881 k = 0.2683 0.1549-0.0000 ( 14515 PWs) bands (ev): -40.5985 -40.5985 -40.5976 -40.5976 -3.9120 -3.9114 -2.9885 -2.9784 -1.1535 -1.1505 -1.1197 -1.1163 -1.1035 -1.1033 -1.0454 -0.9026 -0.8493 -0.8337 -0.8065 -0.8050 -0.7544 -0.7409 -0.7394 -0.7360 -0.7121 -0.7060 -0.4873 -0.4015 1.1667 1.2912 2.8193 2.9632 3.5842 3.6563 4.3804 4.3983 5.6450 5.7294 6.0925 6.1072 7.5745 7.6112 8.2813 8.2846 9.2732 9.3395 9.4852 9.4882 k = 0.2805 0.1619-0.0000 ( 14515 PWs) bands (ev): -40.5985 -40.5985 -40.5976 -40.5976 -3.8723 -3.8716 -2.9693 -2.9590 -1.1523 -1.1500 -1.1166 -1.1112 -1.1020 -1.0987 -1.0472 -0.9002 -0.8462 -0.8310 -0.8058 -0.8013 -0.7541 -0.7403 -0.7375 -0.7346 -0.7118 -0.7052 -0.4815 -0.3938 1.1589 1.2900 2.7420 2.8856 3.4399 3.5179 4.3252 4.3426 5.5667 5.6534 6.0401 6.0557 7.5525 7.5860 8.2437 8.2456 9.2825 9.3532 9.4809 9.4833 k = 0.2927 0.1690-0.0000 ( 14510 PWs) bands (ev): -40.5985 -40.5985 -40.5976 -40.5976 -3.8319 -3.8311 -2.9509 -2.9403 -1.1512 -1.1495 -1.1135 -1.1057 -1.1006 -1.0937 -1.0490 -0.8982 -0.8431 -0.8283 -0.8051 -0.7975 -0.7536 -0.7398 -0.7353 -0.7330 -0.7114 -0.7044 -0.4755 -0.3862 1.1468 1.2829 2.6768 2.8169 3.2983 3.3837 4.2726 4.2896 5.4874 5.5755 5.9907 6.0065 7.5296 7.5600 8.2059 8.2068 9.2955 9.3693 9.4733 9.4748 k = 0.3049 0.1760-0.0000 ( 14500 PWs) bands (ev): -40.5985 -40.5985 -40.5976 -40.5976 -3.7909 -3.7900 -2.9334 -2.9225 -1.1501 -1.1491 -1.1102 -1.1000 -1.0991 -1.0883 -1.0506 -0.8965 -0.8401 -0.8257 -0.8043 -0.7936 -0.7529 -0.7394 -0.7330 -0.7311 -0.7107 -0.7034 -0.4693 -0.3789 1.1306 1.2699 2.6241 2.7563 3.1599 3.2549 4.2226 4.2392 5.4078 5.4963 5.9441 5.9598 7.5063 7.5336 8.1685 8.1687 9.3120 9.3866 9.4636 9.4642 k = 0.3171 0.1831-0.0000 ( 14502 PWs) bands (ev): -40.5985 -40.5985 -40.5976 -40.5976 -3.7497 -3.7486 -2.9169 -2.9059 -1.1492 -1.1487 -1.1068 -1.0976 -1.0943 -1.0824 -1.0520 -0.8952 -0.8371 -0.8233 -0.8034 -0.7896 -0.7519 -0.7390 -0.7304 -0.7290 -0.7095 -0.7023 -0.4632 -0.3719 1.1108 1.2513 2.5834 2.7017 3.0255 3.1339 4.1752 4.1915 5.3283 5.4163 5.9005 5.9156 7.4827 7.5073 8.1317 8.1320 9.3309 9.4019 9.4510 9.4571 k = 0.3293 0.1901-0.0000 ( 14504 PWs) bands (ev): -40.5985 -40.5985 -40.5976 -40.5976 -3.7083 -3.7071 -2.9016 -2.8905 -1.1484 -1.1483 -1.1033 -1.0958 -1.0888 -1.0757 -1.0533 -0.8942 -0.8342 -0.8210 -0.8023 -0.7858 -0.7505 -0.7386 -0.7278 -0.7265 -0.7079 -0.7011 -0.4574 -0.3656 1.0883 1.2279 2.5531 2.6493 2.8963 3.0242 4.1306 4.1466 5.2495 5.3363 5.8596 5.8741 7.4592 7.4813 8.0961 8.0968 9.3511 9.4074 9.4385 9.4600 k = 0.3415 0.1971-0.0000 ( 14502 PWs) bands (ev): -40.5985 -40.5985 -40.5976 -40.5976 -3.6671 -3.6657 -2.8877 -2.8767 -1.1481 -1.1475 -1.1001 -1.0938 -1.0840 -1.0683 -1.0541 -0.8936 -0.8315 -0.8190 -0.8009 -0.7822 -0.7486 -0.7382 -0.7253 -0.7239 -0.7055 -0.6998 -0.4522 -0.3603 1.0642 1.2010 2.5296 2.5930 2.7755 2.9313 4.0888 4.1045 5.1717 5.2568 5.8216 5.8352 7.4363 7.4560 8.0623 8.0633 9.3689 9.4003 9.4297 9.4757 k = 0.3537 0.2042-0.0000 ( 14506 PWs) bands (ev): -40.5985 -40.5985 -40.5976 -40.5976 -3.6262 -3.6248 -2.8753 -2.8644 -1.1478 -1.1468 -1.0973 -1.0911 -1.0798 -1.0609 -1.0538 -0.8934 -0.8291 -0.8173 -0.7992 -0.7791 -0.7463 -0.7378 -0.7230 -0.7210 -0.7020 -0.6983 -0.4480 -0.3564 1.0399 1.1723 2.5018 2.5260 2.6731 2.8613 4.0499 4.0653 5.0958 5.1784 5.7864 5.7990 7.4141 7.4316 8.0304 8.0316 9.3760 9.3876 9.4329 9.4974 k = 0.3659 0.2112-0.0000 ( 14498 PWs) bands (ev): -40.5985 -40.5985 -40.5976 -40.5976 -3.5861 -3.5846 -2.8645 -2.8537 -1.1474 -1.1462 -1.0950 -1.0878 -1.0764 -1.0575 -1.0484 -0.8937 -0.8268 -0.8159 -0.7972 -0.7765 -0.7436 -0.7373 -0.7209 -0.7179 -0.6971 -0.6964 -0.4451 -0.3542 1.0169 1.1437 2.4438 2.4459 2.6139 2.8158 4.0140 4.0291 5.0222 5.1018 5.7539 5.7655 7.3929 7.4084 8.0007 8.0020 9.3695 9.3732 9.4509 9.5207 k = 0.3780 0.2183-0.0000 ( 14490 PWs) bands (ev): -40.5985 -40.5985 -40.5976 -40.5976 -3.5471 -3.5454 -2.8554 -2.8449 -1.1471 -1.1457 -1.0932 -1.0840 -1.0739 -1.0567 -1.0391 -0.8945 -0.8247 -0.8149 -0.7950 -0.7745 -0.7407 -0.7368 -0.7192 -0.7147 -0.6941 -0.6907 -0.4440 -0.3542 0.9965 1.1168 2.3519 2.3558 2.6003 2.7907 3.9812 3.9958 4.9516 5.0276 5.7242 5.7347 7.3729 7.3866 7.9733 7.9746 9.3575 9.3586 9.4752 9.5442 k = 0.3902 0.2253-0.0000 ( 14472 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -3.5094 -3.5077 -2.8479 -2.8378 -1.1468 -1.1452 -1.0915 -1.0800 -1.0725 -1.0557 -1.0287 -0.8957 -0.8229 -0.8141 -0.7926 -0.7730 -0.7378 -0.7362 -0.7176 -0.7118 -0.6910 -0.6827 -0.4449 -0.3566 0.9802 1.0932 2.2496 2.2613 2.6078 2.7794 3.9514 3.9655 4.8847 4.9564 5.6973 5.7068 7.3544 7.3664 7.9482 7.9495 9.3444 9.3445 9.5013 9.5669 k = 0.4024 0.2323-0.0000 ( 14484 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -3.4736 -3.4718 -2.8420 -2.8325 -1.1466 -1.1449 -1.0900 -1.0760 -1.0720 -1.0544 -1.0179 -0.8975 -0.8212 -0.8135 -0.7900 -0.7720 -0.7356 -0.7353 -0.7161 -0.7092 -0.6867 -0.6731 -0.4480 -0.3618 0.9690 1.0741 2.1481 2.1666 2.6244 2.7771 3.9249 3.9383 4.8223 4.8890 5.6733 5.6816 7.3375 7.3479 7.9257 7.9269 9.3312 9.3316 9.5275 9.5882 k = 0.4146 0.2394-0.0000 ( 14470 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -3.4401 -3.4382 -2.8377 -2.8288 -1.1463 -1.1446 -1.0886 -1.0721 -1.0719 -1.0529 -1.0068 -0.8998 -0.8197 -0.8131 -0.7875 -0.7713 -0.7349 -0.7332 -0.7146 -0.7072 -0.6810 -0.6620 -0.4534 -0.3698 0.9635 1.0602 2.0511 2.0746 2.6458 2.7800 3.9015 3.9141 4.7650 4.8260 5.6520 5.6593 7.3223 7.3313 7.9057 7.9068 9.3191 9.3196 9.5527 9.6075 k = 0.4268 0.2464-0.0000 ( 14468 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -3.4093 -3.4075 -2.8347 -2.8267 -1.1460 -1.1445 -1.0872 -1.0727 -1.0680 -1.0514 -0.9956 -0.9028 -0.8184 -0.8128 -0.7850 -0.7709 -0.7342 -0.7316 -0.7131 -0.7057 -0.6739 -0.6499 -0.4607 -0.3806 0.9642 1.0518 1.9607 1.9873 2.6696 2.7855 3.8815 3.8930 4.7138 4.7683 5.6336 5.6398 7.3091 7.3166 7.8882 7.8892 9.3083 9.3088 9.5763 9.6245 k = 0.4390 0.2535-0.0000 ( 14460 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -3.3819 -3.3802 -2.8329 -2.8259 -1.1457 -1.1444 -1.0858 -1.0735 -1.0644 -1.0503 -0.9845 -0.9064 -0.8173 -0.8127 -0.7826 -0.7708 -0.7335 -0.7306 -0.7116 -0.7048 -0.6653 -0.6371 -0.4693 -0.3940 0.9707 1.0483 1.8787 1.9066 2.6941 2.7918 3.8647 3.8750 4.6694 4.7166 5.6181 5.6232 7.2978 7.3039 7.8734 7.8743 9.2989 9.2994 9.5978 9.6388 k = 0.4512 0.2605-0.0000 ( 14458 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -3.3583 -3.3567 -2.8319 -2.8260 -1.1455 -1.1443 -1.0844 -1.0745 -1.0610 -1.0495 -0.9736 -0.9107 -0.8163 -0.8127 -0.7804 -0.7710 -0.7327 -0.7299 -0.7102 -0.7044 -0.6553 -0.6248 -0.4780 -0.4096 0.9823 1.0484 1.8071 1.8344 2.7181 2.7971 3.8513 3.8600 4.6328 4.6717 5.6054 5.6095 7.2885 7.2934 7.8613 7.8620 9.2911 9.2916 9.6168 9.6502 k = 0.4634 0.2676-0.0000 ( 14462 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -3.3391 -3.3378 -2.8315 -2.8269 -1.1452 -1.1443 -1.0831 -1.0756 -1.0579 -1.0492 -0.9632 -0.9158 -0.8155 -0.8128 -0.7784 -0.7713 -0.7320 -0.7296 -0.7088 -0.7043 -0.6444 -0.6144 -0.4850 -0.4265 0.9975 1.0504 1.7484 1.7726 2.7404 2.8003 3.8412 3.8480 4.6045 4.6346 5.5957 5.5988 7.2814 7.2850 7.8519 7.8524 9.2850 9.2853 9.6329 9.6582 k = 0.4756 0.2746-0.0000 ( 14466 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -3.3248 -3.3239 -2.8312 -2.8280 -1.1450 -1.1444 -1.0818 -1.0768 -1.0552 -1.0494 -0.9534 -0.9216 -0.8147 -0.8130 -0.7766 -0.7719 -0.7313 -0.7296 -0.7075 -0.7044 -0.6330 -0.6081 -0.4879 -0.4439 1.0142 1.0516 1.7053 1.7236 2.7600 2.8003 3.8344 3.8391 4.5854 4.6058 5.5889 5.5909 7.2764 7.2788 7.8452 7.8455 9.2806 9.2808 9.6459 9.6629 k = 0.4878 0.2816-0.0000 ( 14468 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -3.3160 -3.3155 -2.8308 -2.8292 -1.1448 -1.1445 -1.0805 -1.0780 -1.0530 -1.0501 -0.9442 -0.9283 -0.8141 -0.8132 -0.7751 -0.7727 -0.7307 -0.7298 -0.7064 -0.7049 -0.6220 -0.6076 -0.4846 -0.4606 1.0300 1.0495 1.6803 1.6904 2.7762 2.7964 3.8309 3.8333 4.5758 4.5862 5.5850 5.5860 7.2737 7.2749 7.8412 7.8414 9.2780 9.2781 9.6555 9.6640 k = 0.5000 0.2887-0.0000 ( 14478 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -3.3128 -3.3128 -2.8302 -2.8302 -1.1446 -1.1446 -1.0792 -1.0792 -1.0513 -1.0513 -0.9359 -0.9359 -0.8136 -0.8136 -0.7738 -0.7738 -0.7302 -0.7302 -0.7056 -0.7056 -0.6129 -0.6129 -0.4749 -0.4749 1.0423 1.0423 1.6754 1.6754 2.7884 2.7884 3.8305 3.8305 4.5761 4.5761 5.5840 5.5840 7.2731 7.2731 7.8399 7.8399 9.2771 9.2771 9.6615 9.6615 k = 0.5000 0.2887-0.0000 ( 14478 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -3.3128 -3.3128 -2.8302 -2.8302 -1.1446 -1.1446 -1.0792 -1.0792 -1.0513 -1.0513 -0.9359 -0.9359 -0.8136 -0.8136 -0.7738 -0.7738 -0.7302 -0.7302 -0.7056 -0.7056 -0.6129 -0.6129 -0.4749 -0.4749 1.0423 1.0423 1.6754 1.6754 2.7884 2.7884 3.8305 3.8305 4.5761 4.5761 5.5840 5.5840 7.2731 7.2731 7.8399 7.8399 9.2771 9.2771 9.6615 9.6615 k = 0.4931 0.3007-0.0000 ( 14470 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -3.3121 -3.3120 -2.8305 -2.8300 -1.1450 -1.1440 -1.0797 -1.0788 -1.0543 -1.0481 -0.9398 -0.9319 -0.8143 -0.8129 -0.7741 -0.7734 -0.7302 -0.7302 -0.7068 -0.7044 -0.6130 -0.6126 -0.4753 -0.4739 1.0420 1.0445 1.6757 1.6764 2.7832 2.7948 3.8143 3.8329 4.5712 4.5777 5.5655 5.5721 7.2807 7.2893 7.8569 7.8590 9.2481 9.2675 9.6690 9.6933 k = 0.4861 0.3127-0.0000 ( 14470 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -3.3098 -3.3096 -2.8308 -2.8300 -1.1453 -1.1433 -1.0802 -1.0785 -1.0571 -1.0448 -0.9437 -0.9279 -0.8149 -0.8121 -0.7743 -0.7728 -0.7301 -0.7300 -0.7082 -0.7034 -0.6130 -0.6122 -0.4753 -0.4724 1.0437 1.0485 1.6773 1.6788 2.7788 2.8023 3.7845 3.8217 4.5630 4.5761 5.5183 5.5310 7.3117 7.3286 7.9086 7.9124 9.1938 9.2234 9.7118 9.7509 k = 0.4792 0.3248-0.0000 ( 14470 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -3.3060 -3.3057 -2.8313 -2.8300 -1.1455 -1.1424 -1.0808 -1.0783 -1.0597 -1.0414 -0.9474 -0.9240 -0.8153 -0.8114 -0.7744 -0.7721 -0.7300 -0.7298 -0.7096 -0.7025 -0.6129 -0.6117 -0.4749 -0.4705 1.0472 1.0545 1.6802 1.6825 2.7750 2.8109 3.7424 3.7984 4.5514 4.5712 5.4464 5.4648 7.3654 7.3900 7.9906 7.9956 9.1283 9.1602 9.7748 9.8210 k = 0.4722 0.3368-0.0000 ( 14468 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -3.3007 -3.3002 -2.8319 -2.8302 -1.1454 -1.1413 -1.0815 -1.0783 -1.0620 -1.0380 -0.9509 -0.9202 -0.8156 -0.8106 -0.7745 -0.7713 -0.7298 -0.7296 -0.7110 -0.7017 -0.6127 -0.6110 -0.4740 -0.4681 1.0526 1.0624 1.6843 1.6874 2.7713 2.8206 3.6897 3.7647 4.5363 4.5630 5.3551 5.3787 7.4403 7.4720 8.0967 8.1025 9.0601 9.0897 9.8474 9.8961 k = 0.4653 0.3488-0.0000 ( 14470 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -3.2939 -3.2933 -2.8327 -2.8305 -1.1453 -1.1401 -1.0821 -1.0784 -1.0640 -1.0346 -0.9542 -0.9167 -0.8157 -0.8098 -0.7745 -0.7703 -0.7296 -0.7292 -0.7125 -0.7011 -0.6122 -0.6102 -0.4727 -0.4653 1.0599 1.0723 1.6895 1.6935 2.7670 2.8308 3.6286 3.7232 4.5177 4.5514 5.2496 5.2780 7.5346 7.5726 8.2190 8.2262 8.9955 9.0191 9.9245 9.9728 k = 0.4583 0.3608-0.0000 ( 14496 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -3.2856 -3.2848 -2.8336 -2.8311 -1.1450 -1.1388 -1.0828 -1.0787 -1.0656 -1.0313 -0.9572 -0.9133 -0.8156 -0.8091 -0.7745 -0.7691 -0.7293 -0.7289 -0.7140 -0.7007 -0.6116 -0.6092 -0.4712 -0.4621 1.0691 1.0841 1.6958 1.7005 2.7615 2.8411 3.5618 3.6766 4.4950 4.5361 5.1347 5.1676 7.6462 7.6899 8.3467 8.3579 8.9428 8.9551 10.0037 10.0491 k = 0.4514 0.3729-0.0000 ( 14498 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -3.2758 -3.2750 -2.8349 -2.8319 -1.1446 -1.1374 -1.0835 -1.0792 -1.0669 -1.0281 -0.9598 -0.9103 -0.8152 -0.8084 -0.7744 -0.7678 -0.7291 -0.7284 -0.7154 -0.7004 -0.6108 -0.6080 -0.4694 -0.4586 1.0801 1.0978 1.7029 1.7084 2.7536 2.8503 3.4922 3.6279 4.4680 4.5168 5.0143 5.0517 7.7730 7.8219 8.4600 8.4820 8.9111 8.9193 10.0841 10.1243 k = 0.4444 0.3849-0.0000 ( 14486 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -3.2647 -3.2637 -2.8364 -2.8331 -1.1440 -1.1359 -1.0842 -1.0799 -1.0678 -1.0251 -0.9619 -0.9077 -0.8144 -0.8077 -0.7743 -0.7664 -0.7289 -0.7280 -0.7168 -0.7003 -0.6097 -0.6065 -0.4675 -0.4550 1.0930 1.1135 1.7106 1.7170 2.7423 2.8568 3.4235 3.5804 4.4359 4.4930 4.8920 4.9340 7.9132 7.9669 8.5247 8.5640 8.9194 8.9568 10.1656 10.1980 k = 0.4375 0.3969-0.0000 ( 14506 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -3.2523 -3.2512 -2.8383 -2.8346 -1.1434 -1.1343 -1.0848 -1.0807 -1.0684 -1.0224 -0.9634 -0.9055 -0.8134 -0.8071 -0.7741 -0.7648 -0.7288 -0.7275 -0.7180 -0.7004 -0.6083 -0.6047 -0.4656 -0.4511 1.1078 1.1311 1.7188 1.7259 2.7262 2.8578 3.3600 3.5368 4.3976 4.4631 4.7715 4.8179 8.0647 8.1232 8.5267 8.5726 9.0090 9.0675 10.2485 10.2702 k = 0.4306 0.4090-0.0000 ( 14508 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -3.2387 -3.2374 -2.8407 -2.8366 -1.1427 -1.1327 -1.0854 -1.0815 -1.0687 -1.0202 -0.9643 -0.9038 -0.8120 -0.8065 -0.7739 -0.7631 -0.7288 -0.7269 -0.7190 -0.7006 -0.6066 -0.6027 -0.4637 -0.4472 1.1243 1.1507 1.7270 1.7350 2.7044 2.8496 3.3069 3.5000 4.3516 4.4244 4.6576 4.7069 8.2260 8.2890 8.4934 8.5360 9.1493 9.2225 10.3338 10.3413 k = 0.4236 0.4210-0.0000 ( 14504 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -3.2238 -3.2223 -2.8436 -2.8392 -1.1418 -1.1311 -1.0860 -1.0824 -1.0689 -1.0183 -0.9645 -0.9026 -0.8103 -0.8059 -0.7736 -0.7613 -0.7291 -0.7264 -0.7197 -0.7010 -0.6045 -0.6003 -0.4621 -0.4434 1.1426 1.1722 1.7351 1.7439 2.6761 2.8282 3.2696 3.4719 4.2959 4.3709 4.5578 4.6047 8.3952 8.4413 8.4690 8.4850 9.3072 9.3970 10.4121 10.4228 k = 0.4167 0.4330-0.0000 ( 14500 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -3.2079 -3.2062 -2.8470 -2.8424 -1.1409 -1.1296 -1.0864 -1.0832 -1.0689 -1.0169 -0.9640 -0.9019 -0.8084 -0.8054 -0.7732 -0.7594 -0.7297 -0.7258 -0.7200 -0.7015 -0.6020 -0.5976 -0.4607 -0.4398 1.1626 1.1956 1.7425 1.7522 2.6416 2.7920 3.2510 3.4537 4.2289 4.2966 4.4795 4.5143 8.3962 8.4299 8.5721 8.6461 9.4684 9.5794 10.4839 10.5172 k = 0.4097 0.4450-0.0000 ( 14496 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -3.1910 -3.1891 -2.8512 -2.8463 -1.1400 -1.1282 -1.0868 -1.0840 -1.0688 -1.0160 -0.9627 -0.9018 -0.8064 -0.8048 -0.7726 -0.7575 -0.7305 -0.7253 -0.7200 -0.7021 -0.5991 -0.5944 -0.4599 -0.4366 1.1844 1.2210 1.7488 1.7593 2.6015 2.7429 3.2499 3.4457 4.1515 4.2055 4.4200 4.4360 8.3474 8.3768 8.7532 8.8334 9.6255 9.7625 10.5584 10.6192 k = 0.4028 0.4571-0.0000 ( 14506 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -3.1731 -3.1710 -2.8562 -2.8510 -1.1389 -1.1270 -1.0870 -1.0846 -1.0687 -1.0154 -0.9609 -0.9021 -0.8044 -0.8043 -0.7719 -0.7555 -0.7315 -0.7247 -0.7198 -0.7028 -0.5956 -0.5908 -0.4597 -0.4337 1.2077 1.2483 1.7536 1.7649 2.5574 2.6855 3.2628 3.4474 4.0674 4.1087 4.3676 4.3697 8.3011 8.3266 8.9380 9.0254 9.7735 9.9404 10.6386 10.7304 k = 0.3958 0.4691-0.0000 ( 14506 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -3.1545 -3.1521 -2.8621 -2.8567 -1.1379 -1.1260 -1.0870 -1.0852 -1.0685 -1.0151 -0.9585 -0.9028 -0.8038 -0.8025 -0.7710 -0.7536 -0.7326 -0.7241 -0.7193 -0.7037 -0.5916 -0.5868 -0.4602 -0.4315 1.2325 1.2774 1.7561 1.7682 2.5112 2.6244 3.2860 3.4576 3.9815 4.0138 4.3054 4.3222 8.2584 8.2802 9.1246 9.2208 9.9087 10.1064 10.7286 10.8518 k = 0.3889 0.4811-0.0000 ( 14484 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -3.1351 -3.1326 -2.8690 -2.8634 -1.1368 -1.1252 -1.0870 -1.0856 -1.0683 -1.0150 -0.9556 -0.9040 -0.8032 -0.8008 -0.7699 -0.7517 -0.7338 -0.7236 -0.7187 -0.7046 -0.5870 -0.5822 -0.4617 -0.4299 1.2586 1.3083 1.7559 1.7687 2.4647 2.5630 3.3166 3.4751 3.8981 3.9250 4.2465 4.2748 8.2198 8.2382 9.3106 9.4180 10.0290 10.2528 10.8332 10.9825 k = 0.3819 0.4932-0.0000 ( 14496 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -3.1153 -3.1124 -2.8770 -2.8712 -1.1356 -1.1247 -1.0868 -1.0859 -1.0681 -1.0149 -0.9525 -0.9056 -0.8027 -0.7995 -0.7685 -0.7498 -0.7350 -0.7231 -0.7179 -0.7055 -0.5818 -0.5771 -0.4642 -0.4292 1.2860 1.3409 1.7523 1.7658 2.4197 2.5039 3.3527 3.4983 3.8203 3.8452 4.1889 4.2263 8.1857 8.2010 9.4933 9.6149 10.1340 10.3735 10.9548 11.1184 k = 0.3750 0.5052-0.0000 ( 14484 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -3.0950 -3.0919 -2.8863 -2.8803 -1.1345 -1.1245 -1.0865 -1.0861 -1.0679 -1.0149 -0.9490 -0.9076 -0.8021 -0.7985 -0.7670 -0.7481 -0.7362 -0.7226 -0.7171 -0.7065 -0.5760 -0.5715 -0.4679 -0.4293 1.3143 1.3751 1.7448 1.7589 2.3780 2.4487 3.3927 3.5248 3.7507 3.7773 4.1318 4.1764 8.1562 8.1687 9.6685 9.8089 10.2250 10.4671 11.0898 11.2527 k = 0.3681 0.5172-0.0000 ( 14484 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -3.0744 -3.0710 -2.8968 -2.8907 -1.1333 -1.1246 -1.0862 -1.0862 -1.0677 -1.0148 -0.9454 -0.9099 -0.8016 -0.7979 -0.7655 -0.7465 -0.7373 -0.7221 -0.7162 -0.7075 -0.5696 -0.5654 -0.4729 -0.4304 1.3432 1.4108 1.7330 1.7474 2.3410 2.3990 3.4352 3.5503 3.6914 3.7261 4.0747 4.1248 8.1315 8.1414 9.8305 9.9962 10.3046 10.5362 11.2281 11.3747 k = 0.3611 0.5292-0.0000 ( 14476 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -3.0537 -3.0500 -2.9088 -2.9026 -1.1322 -1.1249 -1.0863 -1.0859 -1.0675 -1.0146 -0.9416 -0.9125 -0.8010 -0.7976 -0.7640 -0.7450 -0.7384 -0.7217 -0.7152 -0.7085 -0.5627 -0.5587 -0.4791 -0.4322 1.3723 1.4477 1.7169 1.7312 2.3101 2.3558 3.4780 3.5646 3.6448 3.7019 4.0177 4.0717 8.1116 8.1190 9.9718 10.1713 10.3758 10.5845 11.3552 11.4717 k = 0.3542 0.5413-0.0000 ( 14478 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -3.0330 -3.0291 -2.9223 -2.9160 -1.1310 -1.1254 -1.0862 -1.0857 -1.0673 -1.0144 -0.9378 -0.9154 -0.8005 -0.7976 -0.7627 -0.7438 -0.7393 -0.7213 -0.7143 -0.7094 -0.5557 -0.5518 -0.4864 -0.4347 1.4006 1.4855 1.6970 1.7101 2.2862 2.3199 3.5151 3.5590 3.6165 3.7133 3.9618 4.0173 8.0964 8.1017 10.0836 10.3265 10.4408 10.6142 11.4547 11.5332 k = 0.3472 0.5533-0.0000 ( 14482 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -3.0125 -3.0084 -2.9374 -2.9309 -1.1299 -1.1261 -1.0861 -1.0855 -1.0672 -1.0142 -0.9339 -0.9187 -0.7999 -0.7978 -0.7617 -0.7427 -0.7401 -0.7210 -0.7134 -0.7103 -0.5488 -0.5449 -0.4945 -0.4375 1.4264 1.5236 1.6751 1.6848 2.2701 2.2921 3.5317 3.5444 3.6192 3.7491 3.9091 3.9620 8.0859 8.0892 10.1601 10.4515 10.4979 10.6264 11.5194 11.5653 k = 0.3403 0.5653-0.0000 ( 14474 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -2.9924 -2.9885 -2.9542 -2.9471 -1.1289 -1.1269 -1.0859 -1.0855 -1.0671 -1.0140 -0.9299 -0.9222 -0.7993 -0.7982 -0.7611 -0.7419 -0.7408 -0.7208 -0.7126 -0.7112 -0.5428 -0.5394 -0.5020 -0.4399 1.4465 1.5594 1.6551 1.6580 2.2623 2.2730 3.5299 3.5328 3.6448 3.7963 3.8655 3.9061 8.0800 8.0815 10.2018 10.5347 10.5403 10.6240 11.5577 11.5849 k = 0.3333 0.5774-0.0000 ( 14490 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -2.9744 -2.9744 -2.9712 -2.9598 -1.1278 -1.1278 -1.0857 -1.0857 -1.0671 -1.0139 -0.9260 -0.9260 -0.7987 -0.7987 -0.7609 -0.7413 -0.7413 -0.7207 -0.7119 -0.7119 -0.5386 -0.5386 -0.5055 -0.4409 1.4548 1.5795 1.6437 1.6437 2.2632 2.2632 3.5282 3.5282 3.6596 3.8457 3.8457 3.8547 8.0785 8.0785 10.2143 10.5603 10.5603 10.6196 11.5715 11.5943 k = 0.3333 0.5774-0.0000 ( 14490 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -2.9744 -2.9744 -2.9712 -2.9598 -1.1278 -1.1278 -1.0857 -1.0857 -1.0671 -1.0139 -0.9260 -0.9260 -0.7987 -0.7987 -0.7609 -0.7413 -0.7413 -0.7207 -0.7119 -0.7119 -0.5386 -0.5386 -0.5055 -0.4409 1.4548 1.5795 1.6437 1.6437 2.2632 2.2632 3.5282 3.5282 3.6596 3.8457 3.8457 3.8547 8.0785 8.0785 10.2143 10.5603 10.5603 10.6196 11.5715 11.5943 k = 0.3264 0.5653-0.0000 ( 14476 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -2.9932 -2.9888 -2.9538 -2.9465 -1.1289 -1.1269 -1.0860 -1.0854 -1.0671 -1.0140 -0.9301 -0.9220 -0.7993 -0.7981 -0.7611 -0.7417 -0.7410 -0.7208 -0.7124 -0.7113 -0.5454 -0.5371 -0.5020 -0.4395 1.4454 1.5596 1.6480 1.6668 2.2628 2.2726 3.5305 3.5315 3.6438 3.7960 3.8645 3.9086 8.0800 8.0814 10.2037 10.5313 10.5553 10.6154 11.5512 11.5628 k = 0.3194 0.5533-0.0000 ( 14466 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -3.0154 -3.0106 -2.9358 -2.9286 -1.1300 -1.1260 -1.0865 -1.0852 -1.0672 -1.0144 -0.9344 -0.9182 -0.8001 -0.7975 -0.7617 -0.7420 -0.7410 -0.7211 -0.7128 -0.7109 -0.5572 -0.5391 -0.4940 -0.4351 1.4195 1.5224 1.6682 1.7059 2.2719 2.2903 3.5326 3.5370 3.6148 3.7466 3.9108 3.9705 8.0859 8.0884 10.1748 10.4778 10.5275 10.5919 11.4918 11.4951 k = 0.3125 0.5413-0.0000 ( 14466 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -3.0395 -3.0347 -2.9188 -2.9113 -1.1311 -1.1252 -1.0871 -1.0849 -1.0674 -1.0151 -0.9391 -0.9144 -0.8008 -0.7970 -0.7628 -0.7422 -0.7411 -0.7216 -0.7129 -0.7107 -0.5712 -0.5445 -0.4842 -0.4277 1.3835 1.4811 1.6995 1.7490 2.2902 2.3160 3.5082 3.5403 3.6101 3.7089 3.9699 4.0355 8.0959 8.0994 10.1316 10.4110 10.4814 10.5492 11.4099 11.4110 k = 0.3056 0.5292-0.0000 ( 14472 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -3.0655 -3.0608 -2.9029 -2.8951 -1.1323 -1.1245 -1.0879 -1.0847 -1.0676 -1.0162 -0.9441 -0.9108 -0.8017 -0.7965 -0.7642 -0.7423 -0.7416 -0.7223 -0.7129 -0.7107 -0.5865 -0.5526 -0.4737 -0.4178 1.3428 1.4388 1.7379 1.7945 2.3173 2.3492 3.4594 3.5271 3.6343 3.6960 4.0356 4.1034 8.1098 8.1142 10.0773 10.3351 10.4217 10.4924 11.3175 11.3187 k = 0.2986 0.5172-0.0000 ( 14486 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -3.0934 -3.0888 -2.8885 -2.8802 -1.1334 -1.1239 -1.0887 -1.0845 -1.0679 -1.0178 -0.9494 -0.9073 -0.8026 -0.7960 -0.7659 -0.7424 -0.7423 -0.7233 -0.7127 -0.7109 -0.6022 -0.5626 -0.4629 -0.4065 1.3008 1.3972 1.7817 1.8422 2.3526 2.3894 3.4030 3.4923 3.6721 3.7125 4.1056 4.1739 8.1276 8.1326 10.0145 10.2533 10.3522 10.4255 11.2204 11.2225 k = 0.2917 0.5052-0.0000 ( 14488 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -3.1232 -3.1187 -2.8755 -2.8668 -1.1346 -1.1234 -1.0898 -1.0844 -1.0682 -1.0199 -0.9551 -0.9040 -0.8035 -0.7956 -0.7679 -0.7432 -0.7425 -0.7243 -0.7125 -0.7112 -0.6180 -0.5737 -0.4522 -0.3944 1.2595 1.3577 1.8300 1.8922 2.3954 2.4361 3.3449 3.4455 3.7187 3.7486 4.1786 4.2468 8.1489 8.1545 9.9455 10.1678 10.2758 10.3516 11.1213 11.1250 k = 0.2847 0.4932-0.0000 ( 14484 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -3.1547 -3.1505 -2.8641 -2.8550 -1.1357 -1.1231 -1.0909 -1.0844 -1.0685 -1.0226 -0.9610 -0.9009 -0.8045 -0.7953 -0.7702 -0.7443 -0.7426 -0.7256 -0.7122 -0.7118 -0.6336 -0.5854 -0.4420 -0.3822 1.2205 1.3212 1.8825 1.9451 2.4447 2.4886 3.2870 3.3941 3.7721 3.7965 4.2543 4.3219 8.1736 8.1795 9.8721 10.0801 10.1949 10.2729 11.0219 11.0273 k = 0.2778 0.4811-0.0000 ( 14494 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -3.1879 -3.1839 -2.8545 -2.8449 -1.1369 -1.1229 -1.0921 -1.0845 -1.0688 -1.0258 -0.9672 -0.8982 -0.8055 -0.7951 -0.7727 -0.7456 -0.7428 -0.7271 -0.7125 -0.7118 -0.6487 -0.5971 -0.4326 -0.3705 1.1850 1.2888 1.9393 2.0010 2.4996 2.5465 3.2304 3.3417 3.8314 3.8526 4.3322 4.3991 8.2014 8.2074 9.7958 9.9917 10.1110 10.1908 10.9231 10.9304 k = 0.2708 0.4691-0.0000 ( 14498 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -3.2228 -3.2190 -2.8467 -2.8367 -1.1380 -1.1228 -1.0934 -1.0848 -1.0690 -1.0297 -0.9738 -0.8957 -0.8066 -0.7950 -0.7754 -0.7471 -0.7430 -0.7288 -0.7134 -0.7115 -0.6629 -0.6087 -0.4244 -0.3596 1.1538 1.2610 2.0002 2.0604 2.5591 2.6094 3.1763 3.2900 3.8960 3.9150 4.4121 4.4782 8.2321 8.2381 9.7178 9.9036 10.0252 10.1066 10.8254 10.8348 k = 0.2639 0.4571-0.0000 ( 14488 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -3.2591 -3.2556 -2.8408 -2.8305 -1.1390 -1.1230 -1.0948 -1.0854 -1.0691 -1.0340 -0.9806 -0.8935 -0.8078 -0.7951 -0.7783 -0.7487 -0.7432 -0.7307 -0.7144 -0.7112 -0.6759 -0.6198 -0.4176 -0.3502 1.1277 1.2386 2.0652 2.1234 2.6218 2.6768 3.1261 3.2399 3.9653 3.9827 4.4939 4.5591 8.2654 8.2713 9.6391 9.8165 9.9386 10.0211 10.7292 10.7407 k = 0.2569 0.4450-0.0000 ( 14482 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -3.2969 -3.2937 -2.8370 -2.8262 -1.1401 -1.1233 -1.0962 -1.0861 -1.0691 -1.0389 -0.9876 -0.8917 -0.8091 -0.7954 -0.7814 -0.7504 -0.7435 -0.7331 -0.7155 -0.7109 -0.6876 -0.6303 -0.4125 -0.3423 1.1070 1.2218 2.1344 2.1903 2.6855 2.7483 3.0820 3.1922 4.0387 4.0551 4.5772 4.6416 8.3009 8.3065 9.5607 9.7312 9.8518 9.9350 10.6348 10.6485 k = 0.2500 0.4330-0.0000 ( 14486 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -3.3359 -3.3329 -2.8351 -2.8241 -1.1411 -1.1238 -1.0977 -1.0870 -1.0691 -1.0442 -0.9947 -0.8903 -0.8106 -0.7960 -0.7844 -0.7523 -0.7439 -0.7360 -0.7166 -0.7107 -0.6976 -0.6399 -0.4093 -0.3364 1.0921 1.2109 2.2077 2.2610 2.7456 2.8234 3.0486 3.1477 4.1160 4.1315 4.6620 4.7256 8.3383 8.3434 9.4833 9.6483 9.7653 9.8488 10.5424 10.5584 k = 0.2431 0.4210-0.0000 ( 14486 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -3.3760 -3.3732 -2.8353 -2.8240 -1.1420 -1.1246 -1.0993 -1.0880 -1.0689 -1.0499 -1.0020 -0.8892 -0.8123 -0.7968 -0.7874 -0.7543 -0.7442 -0.7395 -0.7179 -0.7105 -0.7058 -0.6488 -0.4080 -0.3325 1.0828 1.2058 2.2851 2.3357 2.7928 2.9014 3.0357 3.1076 4.1968 4.2116 4.7482 4.8110 8.3771 8.3816 9.4076 9.5685 9.6797 9.7630 10.4521 10.4704 k = 0.2361 0.4090-0.0000 ( 14485 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -3.4170 -3.4145 -2.8375 -2.8260 -1.1429 -1.1255 -1.1009 -1.0892 -1.0687 -1.0559 -1.0093 -0.8884 -0.8142 -0.7979 -0.7903 -0.7566 -0.7447 -0.7435 -0.7192 -0.7124 -0.7102 -0.6569 -0.4087 -0.3306 1.0790 1.2062 2.3665 2.4144 2.8138 2.9795 3.0567 3.0750 4.2806 4.2950 4.8355 4.8975 8.4166 8.4204 9.3345 9.4925 9.5955 9.6779 10.3640 10.3847 k = 0.2292 0.3969-0.0000 ( 14497 PWs) bands (ev): -40.5985 -40.5985 -40.5975 -40.5975 -3.4588 -3.4565 -2.8418 -2.8300 -1.1438 -1.1267 -1.1026 -1.0905 -1.0685 -1.0621 -1.0164 -0.8880 -0.8164 -0.7994 -0.7929 -0.7594 -0.7474 -0.7452 -0.7205 -0.7171 -0.7103 -0.6642 -0.4111 -0.3308 1.0803 1.2114 2.4517 2.4969 2.8098 3.0209 3.0871 3.1111 4.3672 4.3813 4.9238 4.9850 8.4560 8.4590 9.2646 9.4211 9.5129 9.5938 10.2782 10.3013 k = 0.2222 0.3849-0.0000 ( 14493 PWs) bands (ev): -40.5985 -40.5985 -40.5975 -40.5975 -3.5012 -3.4992 -2.8479 -2.8361 -1.1446 -1.1280 -1.1044 -1.0918 -1.0685 -1.0684 -1.0233 -0.8880 -0.8189 -0.8012 -0.7952 -0.7629 -0.7507 -0.7457 -0.7219 -0.7206 -0.7103 -0.6707 -0.4152 -0.3328 1.0859 1.2208 2.5406 2.5832 2.7948 3.0033 3.1669 3.1853 4.4563 4.4702 5.0130 5.0734 8.4941 8.4963 9.1991 9.3555 9.4326 9.5109 10.1947 10.2203 k = 0.2153 0.3729-0.0000 ( 14487 PWs) bands (ev): -40.5985 -40.5985 -40.5975 -40.5975 -3.5441 -3.5422 -2.8560 -2.8441 -1.1454 -1.1296 -1.1062 -1.0932 -1.0747 -1.0688 -1.0298 -0.8883 -0.8217 -0.8034 -0.7972 -0.7671 -0.7531 -0.7462 -0.7233 -0.7232 -0.7104 -0.6765 -0.4207 -0.3365 1.0951 1.2333 2.6331 2.6729 2.7791 2.9850 3.2566 3.2700 4.5476 4.5614 5.1028 5.1625 8.5290 8.5309 9.1392 9.2969 9.3552 9.4294 10.1136 10.1418 k = 0.2083 0.3608-0.0000 ( 14479 PWs) bands (ev): -40.5985 -40.5985 -40.5976 -40.5976 -3.5872 -3.5855 -2.8659 -2.8540 -1.1462 -1.1313 -1.1080 -1.0946 -1.0810 -1.0696 -1.0355 -0.8889 -0.8248 -0.8058 -0.7989 -0.7717 -0.7547 -0.7468 -0.7255 -0.7245 -0.7106 -0.6816 -0.4272 -0.3415 1.1068 1.2478 2.7285 2.7586 2.7751 2.9731 3.3501 3.3611 4.6408 4.6546 5.1932 5.2521 8.5582 8.5608 9.0863 9.2473 9.2821 9.3495 10.0350 10.0658 k = 0.2014 0.3488-0.0000 ( 14489 PWs) bands (ev): -40.5985 -40.5985 -40.5976 -40.5976 -3.6303 -3.6288 -2.8775 -2.8656 -1.1469 -1.1332 -1.1099 -1.0959 -1.0872 -1.0711 -1.0402 -0.8897 -0.8280 -0.8086 -0.8003 -0.7765 -0.7556 -0.7474 -0.7273 -0.7259 -0.7109 -0.6861 -0.4345 -0.3477 1.1202 1.2629 2.7604 2.8258 2.8651 2.9703 3.4463 3.4566 4.7356 4.7495 5.2838 5.3419 8.5782 8.5834 9.0410 9.2088 9.2159 9.2714 9.9588 9.9923 k = 0.1944 0.3368-0.0000 ( 14497 PWs) bands (ev): -40.5985 -40.5985 -40.5976 -40.5976 -3.6734 -3.6721 -2.8906 -2.8789 -1.1476 -1.1352 -1.1118 -1.0972 -1.0932 -1.0737 -1.0435 -0.8909 -0.8314 -0.8116 -0.8015 -0.7812 -0.7562 -0.7480 -0.7288 -0.7273 -0.7111 -0.6901 -0.4423 -0.3547 1.1340 1.2775 2.7637 2.9170 2.9653 2.9853 3.5450 3.5556 4.8316 4.8457 5.3747 5.4317 8.5857 8.5963 9.0010 9.1622 9.1818 9.1971 9.8852 9.9214 k = 0.1875 0.3248-0.0000 ( 14501 PWs) bands (ev): -40.5985 -40.5985 -40.5976 -40.5976 -3.7163 -3.7151 -2.9051 -2.8936 -1.1482 -1.1373 -1.1137 -1.0989 -1.0985 -1.0774 -1.0455 -0.8923 -0.8348 -0.8147 -0.8025 -0.7858 -0.7565 -0.7486 -0.7301 -0.7286 -0.7114 -0.6936 -0.4503 -0.3623 1.1474 1.2903 2.7766 2.9656 3.0551 3.0688 3.6460 3.6575 4.9286 4.9429 5.4655 5.5215 8.5787 8.5976 8.9588 9.1188 9.1305 9.1759 9.8140 9.8529 k = 0.1806 0.3127-0.0000 ( 14501 PWs) bands (ev): -40.5985 -40.5985 -40.5976 -40.5976 -3.7588 -3.7577 -2.9210 -2.9096 -1.1489 -1.1394 -1.1156 -1.1044 -1.0998 -1.0818 -1.0463 -0.8940 -0.8381 -0.8180 -0.8034 -0.7902 -0.7565 -0.7492 -0.7313 -0.7300 -0.7117 -0.6965 -0.4582 -0.3703 1.1594 1.3003 2.7999 2.9931 3.1586 3.1754 3.7489 3.7620 5.0261 5.0408 5.5560 5.6108 8.5584 8.5872 8.9080 9.0462 9.1256 9.1811 9.7453 9.7870 k = 0.1736 0.3007-0.0000 ( 14505 PWs) bands (ev): -40.5985 -40.5985 -40.5976 -40.5976 -3.8007 -3.7998 -2.9379 -2.9268 -1.1496 -1.1416 -1.1176 -1.1095 -1.1011 -1.0868 -1.0463 -0.8959 -0.8415 -0.8213 -0.8042 -0.7944 -0.7564 -0.7498 -0.7324 -0.7314 -0.7120 -0.6991 -0.4659 -0.3785 1.1694 1.3068 2.8344 3.0263 3.2692 3.2848 3.8538 3.8687 5.1238 5.1389 5.6461 5.6996 8.5282 8.5667 8.8500 8.9753 9.1421 9.1992 9.6792 9.7236 k = 0.1667 0.2887-0.0000 ( 14503 PWs) bands (ev): -40.5985 -40.5985 -40.5976 -40.5976 -3.8420 -3.8412 -2.9558 -2.9450 -1.1503 -1.1438 -1.1196 -1.1142 -1.1023 -1.0918 -1.0456 -0.8981 -0.8448 -0.8247 -0.8050 -0.7985 -0.7560 -0.7503 -0.7334 -0.7328 -0.7122 -0.7012 -0.4733 -0.3867 1.1767 1.3094 2.8802 3.0687 3.3835 3.3968 3.9603 3.9775 5.2213 5.2369 5.7356 5.7875 8.4919 8.5388 8.7890 8.9062 9.1717 9.2268 9.6155 9.6627 k = 0.1597 0.2766-0.0000 ( 14497 PWs) bands (ev): -40.5985 -40.5985 -40.5976 -40.5976 -3.8824 -3.8817 -2.9745 -2.9640 -1.1510 -1.1459 -1.1215 -1.1185 -1.1037 -1.0968 -1.0446 -0.9005 -0.8480 -0.8281 -0.8057 -0.8023 -0.7556 -0.7509 -0.7343 -0.7341 -0.7123 -0.7029 -0.4802 -0.3948 1.1812 1.3078 2.9371 3.1209 3.5006 3.5112 4.0685 4.0880 5.3182 5.3344 5.8242 5.8742 8.4522 8.5061 8.7273 8.8390 9.2082 9.2603 9.5545 9.6043 k = 0.1528 0.2646-0.0000 ( 14509 PWs) bands (ev): -40.5985 -40.5985 -40.5976 -40.5976 -3.9219 -3.9213 -2.9937 -2.9836 -1.1518 -1.1480 -1.1236 -1.1223 -1.1053 -1.1015 -1.0432 -0.9031 -0.8510 -0.8315 -0.8063 -0.8059 -0.7551 -0.7514 -0.7355 -0.7352 -0.7124 -0.7042 -0.4866 -0.4027 1.1826 1.3024 3.0049 3.1830 3.6200 3.6276 4.1781 4.2002 5.4141 5.4308 5.9117 5.9597 8.4112 8.4707 8.6662 8.7736 9.2474 9.2964 9.4963 9.5485 k = 0.1458 0.2526-0.0000 ( 14501 PWs) bands (ev): -40.5985 -40.5985 -40.5976 -40.5976 -3.9604 -3.9599 -3.0134 -3.0037 -1.1527 -1.1501 -1.1261 -1.1251 -1.1080 -1.1047 -1.0416 -0.9059 -0.8540 -0.8348 -0.8092 -0.8070 -0.7545 -0.7518 -0.7367 -0.7361 -0.7124 -0.7053 -0.4924 -0.4105 1.1811 1.2934 3.0828 3.2547 3.7414 3.7459 4.2891 4.3138 5.5084 5.5256 5.9979 6.0435 8.3700 8.4342 8.6062 8.7100 9.2858 9.3310 9.4421 9.4957 k = 0.1389 0.2406-0.0000 ( 14509 PWs) bands (ev): -40.5985 -40.5985 -40.5976 -40.5976 -3.9977 -3.9973 -3.0333 -3.0241 -1.1537 -1.1521 -1.1290 -1.1270 -1.1120 -1.1065 -1.0399 -0.9089 -0.8568 -0.8380 -0.8123 -0.8077 -0.7539 -0.7523 -0.7380 -0.7369 -0.7123 -0.7061 -0.4976 -0.4179 1.1769 1.2814 3.1701 3.3354 3.8644 3.8656 4.4012 4.4286 5.6007 5.6184 6.0827 6.1256 8.3294 8.3975 8.5477 8.6480 9.3196 9.3520 9.4015 9.4469 k = 0.1319 0.2285-0.0000 ( 14499 PWs) bands (ev): -40.5985 -40.5985 -40.5976 -40.5976 -4.0338 -4.0334 -3.0534 -3.0445 -1.1548 -1.1541 -1.1316 -1.1289 -1.1162 -1.1078 -1.0379 -0.9121 -0.8594 -0.8412 -0.8151 -0.8084 -0.7532 -0.7526 -0.7391 -0.7378 -0.7121 -0.7066 -0.5023 -0.4250 1.1703 1.2669 3.2661 3.4248 3.9866 3.9884 4.5145 4.5444 5.6906 5.7086 6.1657 6.2055 8.2897 8.3611 8.4906 8.5877 9.3222 9.3398 9.4089 9.4093 k = 0.1250 0.2165-0.0000 ( 14509 PWs) bands (ev): -40.5985 -40.5985 -40.5976 -40.5976 -4.0685 -4.0682 -3.0733 -3.0649 -1.1560 -1.1559 -1.1337 -1.1306 -1.1201 -1.1091 -1.0358 -0.9154 -0.8619 -0.8442 -0.8177 -0.8091 -0.7529 -0.7525 -0.7402 -0.7386 -0.7117 -0.7070 -0.5063 -0.4319 1.1616 1.2504 3.3699 3.5222 4.1082 4.1131 4.6289 4.6611 5.7776 5.7957 6.2467 6.2831 8.2509 8.3252 8.4350 8.5288 9.2754 9.3239 9.4016 9.4292 k = 0.1181 0.2045-0.0000 ( 14505 PWs) bands (ev): -40.5985 -40.5985 -40.5976 -40.5976 -4.1018 -4.1015 -3.0931 -3.0851 -1.1577 -1.1574 -1.1355 -1.1322 -1.1238 -1.1104 -1.0336 -0.9189 -0.8643 -0.8471 -0.8199 -0.8099 -0.7532 -0.7519 -0.7411 -0.7394 -0.7113 -0.7072 -0.5099 -0.4384 1.1513 1.2326 3.4807 3.6268 4.2301 4.2379 4.7442 4.7783 5.8614 5.8792 6.3255 6.3581 8.2129 8.2898 8.3809 8.4711 9.2283 9.2851 9.4096 9.4420 k = 0.1111 0.1925-0.0000 ( 14503 PWs) bands (ev): -40.5985 -40.5985 -40.5976 -40.5976 -4.1335 -4.1333 -3.1125 -3.1049 -1.1594 -1.1588 -1.1370 -1.1336 -1.1273 -1.1116 -1.0313 -0.9225 -0.8664 -0.8499 -0.8219 -0.8107 -0.7534 -0.7512 -0.7419 -0.7402 -0.7108 -0.7072 -0.5130 -0.4446 1.1397 1.2138 3.5977 3.7381 4.3518 4.3621 4.8605 4.8958 5.9417 5.9585 6.4018 6.4303 8.1753 8.2544 8.3281 8.4145 9.1825 9.2428 9.4108 9.4436 k = 0.1042 0.1804-0.0000 ( 14505 PWs) bands (ev): -40.5985 -40.5985 -40.5976 -40.5976 -4.1637 -4.1635 -3.1313 -3.1243 -1.1609 -1.1603 -1.1383 -1.1348 -1.1304 -1.1129 -1.0288 -0.9262 -0.8684 -0.8526 -0.8237 -0.8116 -0.7536 -0.7505 -0.7426 -0.7409 -0.7102 -0.7071 -0.5155 -0.4504 1.1273 1.1945 3.7203 3.8553 4.4727 4.4849 4.9778 5.0134 6.0182 6.0334 6.4753 6.4993 8.1375 8.2186 8.2763 8.3586 9.1383 9.2007 9.3992 9.4313 k = 0.0972 0.1684-0.0000 ( 14497 PWs) bands (ev): -40.5985 -40.5985 -40.5976 -40.5976 -4.1922 -4.1921 -3.1495 -3.1430 -1.1624 -1.1618 -1.1395 -1.1357 -1.1333 -1.1141 -1.0263 -0.9299 -0.8703 -0.8551 -0.8252 -0.8125 -0.7537 -0.7499 -0.7432 -0.7417 -0.7095 -0.7069 -0.5176 -0.4561 1.1143 1.1751 3.8477 3.9778 4.5921 4.6056 5.0961 5.1307 6.0910 6.1034 6.5457 6.5650 8.0989 8.1814 8.2252 8.3032 9.0957 9.1593 9.3722 9.4028 k = 0.0903 0.1564-0.0000 ( 14509 PWs) bands (ev): -40.5986 -40.5986 -40.5976 -40.5976 -4.2190 -4.2189 -3.1670 -3.1609 -1.1638 -1.1632 -1.1408 -1.1363 -1.1359 -1.1153 -1.0236 -0.9337 -0.8719 -0.8575 -0.8264 -0.8134 -0.7538 -0.7493 -0.7437 -0.7424 -0.7088 -0.7066 -0.5193 -0.4614 1.1011 1.1558 3.9791 4.1047 4.7093 4.7232 5.2154 5.2473 6.1600 6.1685 6.6128 6.6269 8.0584 8.1414 8.1742 8.2478 9.0545 9.1189 9.3287 9.3568 k = 0.0833 0.1443-0.0000 ( 14511 PWs) bands (ev): -40.5986 -40.5986 -40.5976 -40.5976 -4.2440 -4.2439 -3.1836 -3.1779 -1.1652 -1.1646 -1.1420 -1.1383 -1.1367 -1.1166 -1.0208 -0.9375 -0.8734 -0.8598 -0.8274 -0.8144 -0.7538 -0.7488 -0.7441 -0.7431 -0.7081 -0.7063 -0.5206 -0.4665 1.0881 1.1371 4.1137 4.2352 4.8237 4.8369 5.3354 5.3627 6.2254 6.2285 6.6764 6.6849 8.0146 8.0973 8.1230 8.1920 9.0148 9.0794 9.2702 9.2946 k = 0.0764 0.1323-0.0000 ( 14523 PWs) bands (ev): -40.5986 -40.5986 -40.5976 -40.5976 -4.2671 -4.2671 -3.1992 -3.1940 -1.1664 -1.1659 -1.1432 -1.1404 -1.1368 -1.1178 -1.0180 -0.9413 -0.8747 -0.8619 -0.8282 -0.8154 -0.7537 -0.7484 -0.7444 -0.7437 -0.7074 -0.7059 -0.5215 -0.4713 1.0753 1.1190 4.2509 4.3685 4.9343 4.9456 5.4560 5.4761 6.2837 6.2877 6.7362 6.7386 7.9655 8.0470 8.0715 8.1354 8.9764 9.0406 9.2001 9.2200 k = 0.0694 0.1203-0.0000 ( 14511 PWs) bands (ev): -40.5986 -40.5986 -40.5976 -40.5976 -4.2884 -4.2884 -3.2137 -3.2090 -1.1675 -1.1671 -1.1444 -1.1423 -1.1367 -1.1190 -1.0150 -0.9452 -0.8758 -0.8640 -0.8288 -0.8164 -0.7537 -0.7480 -0.7446 -0.7442 -0.7066 -0.7055 -0.5221 -0.4759 1.0632 1.1019 4.3894 4.5035 5.0406 5.0488 5.5765 5.5867 6.3345 6.3474 6.7877 6.7922 7.9088 7.9885 8.0202 8.0774 8.9391 9.0026 9.1240 9.1391 k = 0.0625 0.1083-0.0000 ( 14523 PWs) bands (ev): -40.5986 -40.5986 -40.5977 -40.5977 -4.3078 -4.3078 -3.2271 -3.2229 -1.1685 -1.1682 -1.1454 -1.1440 -1.1364 -1.1202 -1.0120 -0.9490 -0.8767 -0.8659 -0.8291 -0.8174 -0.7535 -0.7478 -0.7447 -0.7447 -0.7059 -0.7051 -0.5223 -0.4803 1.0518 1.0858 4.5282 4.6387 5.1418 5.1460 5.6933 5.6956 6.3816 6.4052 6.8320 6.8443 7.8419 7.9199 7.9696 8.0179 8.9027 8.9652 9.0475 9.0585 k = 0.0556 0.0962-0.0000 ( 14533 PWs) bands (ev): -40.5986 -40.5986 -40.5977 -40.5977 -4.3253 -4.3253 -3.2392 -3.2355 -1.1694 -1.1692 -1.1465 -1.1455 -1.1361 -1.1214 -1.0089 -0.9527 -0.8774 -0.8677 -0.8293 -0.8185 -0.7534 -0.7478 -0.7449 -0.7448 -0.7052 -0.7046 -0.5221 -0.4845 1.0414 1.0710 4.6657 4.7723 5.2369 5.2375 5.7944 5.8116 6.4263 6.4618 6.8711 6.8924 7.7640 7.8402 7.9202 7.9566 8.8670 8.9286 8.9756 8.9841 k = 0.0486 0.0842-0.0000 ( 14533 PWs) bands (ev): -40.5986 -40.5986 -40.5977 -40.5977 -4.3407 -4.3407 -3.2501 -3.2468 -1.1702 -1.1701 -1.1474 -1.1467 -1.1356 -1.1226 -1.0057 -0.9565 -0.8780 -0.8693 -0.8294 -0.8195 -0.7531 -0.7479 -0.7451 -0.7448 -0.7046 -0.7042 -0.5217 -0.4885 1.0321 1.0575 4.7998 4.9020 5.3222 5.3274 5.8881 5.9214 6.4706 6.5181 6.9047 6.9363 7.6760 7.7499 7.8715 7.8935 8.8316 8.8928 8.9118 8.9205 k = 0.0417 0.0722-0.0000 ( 14543 PWs) bands (ev): -40.5986 -40.5986 -40.5977 -40.5977 -4.3542 -4.3542 -3.2596 -3.2568 -1.1710 -1.1709 -1.1482 -1.1478 -1.1350 -1.1238 -1.0025 -0.9602 -0.8784 -0.8709 -0.8293 -0.8205 -0.7529 -0.7482 -0.7450 -0.7448 -0.7041 -0.7038 -0.5210 -0.4923 1.0240 1.0454 4.9280 5.0240 5.4027 5.4118 5.9726 6.0210 6.5174 6.5745 6.9324 6.9758 7.5807 7.6510 7.8230 7.8288 8.7969 8.8531 8.8629 8.8696 k = 0.0347 0.0601-0.0000 ( 14539 PWs) bands (ev): -40.5986 -40.5986 -40.5977 -40.5977 -4.3656 -4.3656 -3.2676 -3.2653 -1.1716 -1.1715 -1.1489 -1.1487 -1.1344 -1.1249 -0.9992 -0.9640 -0.8786 -0.8723 -0.8290 -0.8216 -0.7526 -0.7487 -0.7449 -0.7448 -0.7036 -0.7034 -0.5199 -0.4959 1.0172 1.0348 5.0466 5.1336 5.4800 5.4911 6.0459 6.1049 6.5702 6.6311 6.9539 7.0100 7.4825 7.5474 7.7638 7.7745 8.7644 8.8091 8.8305 8.8309 k = 0.0278 0.0481-0.0000 ( 14535 PWs) bands (ev): -40.5986 -40.5986 -40.5977 -40.5977 -4.3750 -4.3750 -3.2743 -3.2724 -1.1721 -1.1720 -1.1495 -1.1494 -1.1337 -1.1261 -0.9959 -0.9676 -0.8787 -0.8736 -0.8286 -0.8226 -0.7523 -0.7491 -0.7448 -0.7448 -0.7032 -0.7031 -0.5186 -0.4993 1.0118 1.0257 5.1513 5.2255 5.5555 5.5655 6.1066 6.1682 6.6314 6.6869 6.9691 7.0373 7.3874 7.4447 7.7010 7.7264 8.7368 8.7724 8.8018 8.8033 k = 0.0208 0.0361-0.0000 ( 14535 PWs) bands (ev): -40.5986 -40.5986 -40.5977 -40.5977 -4.3823 -4.3823 -3.2794 -3.2780 -1.1725 -1.1725 -1.1500 -1.1499 -1.1329 -1.1272 -0.9925 -0.9713 -0.8786 -0.8747 -0.8281 -0.8235 -0.7520 -0.7495 -0.7448 -0.7447 -0.7029 -0.7028 -0.5170 -0.5025 1.0079 1.0182 5.2378 5.2953 5.6279 5.6343 6.1539 6.2089 6.6992 6.7396 6.9785 7.0545 7.3026 7.3496 7.6449 7.6797 8.7158 8.7434 8.7801 8.7813 k = 0.0139 0.0241-0.0000 ( 14511 PWs) bands (ev): -40.5986 -40.5986 -40.5977 -40.5977 -4.3876 -4.3875 -3.2830 -3.2821 -1.1727 -1.1727 -1.1503 -1.1503 -1.1321 -1.1282 -0.9890 -0.9749 -0.8783 -0.8757 -0.8276 -0.8244 -0.7516 -0.7500 -0.7447 -0.7447 -0.7026 -0.7026 -0.5152 -0.5054 1.0056 1.0124 5.3030 5.3414 5.6910 5.6936 6.1885 6.2290 6.7658 6.7856 6.9848 7.0575 7.2363 7.2700 7.6024 7.6371 8.7022 8.7213 8.7648 8.7653 k = 0.0069 0.0120-0.0000 ( 14493 PWs) bands (ev): -40.5986 -40.5986 -40.5977 -40.5977 -4.3907 -4.3907 -3.2851 -3.2846 -1.1729 -1.1729 -1.1505 -1.1505 -1.1312 -1.1292 -0.9855 -0.9785 -0.8779 -0.8766 -0.8269 -0.8253 -0.7513 -0.7504 -0.7446 -0.7446 -0.7025 -0.7025 -0.5131 -0.5082 1.0049 1.0083 5.3455 5.3646 5.7351 5.7355 6.2119 6.2333 6.8160 6.8196 6.9951 7.0434 7.1964 7.2140 7.5803 7.6024 8.6961 8.7059 8.7556 8.7557 k = 0.0000 0.0000 0.0000 ( 14485 PWs) bands (ev): -40.5986 -40.5986 -40.5977 -40.5977 -4.3917 -4.3917 -3.2856 -3.2856 -1.1730 -1.1730 -1.1506 -1.1506 -1.1302 -1.1302 -0.9820 -0.9820 -0.8773 -0.8773 -0.8261 -0.8261 -0.7509 -0.7509 -0.7446 -0.7446 -0.7025 -0.7025 -0.5108 -0.5108 1.0057 1.0057 5.3659 5.3659 5.7510 5.7510 6.2266 6.2266 6.8336 6.8336 7.0175 7.0175 7.1885 7.1885 7.5813 7.5813 8.6974 8.6974 8.7525 8.7525 k = 0.0000 0.0000 0.0000 ( 14485 PWs) bands (ev): -40.5986 -40.5986 -40.5977 -40.5977 -4.3917 -4.3917 -3.2856 -3.2856 -1.1730 -1.1730 -1.1506 -1.1506 -1.1302 -1.1302 -0.9820 -0.9820 -0.8773 -0.8773 -0.8261 -0.8261 -0.7509 -0.7509 -0.7446 -0.7446 -0.7025 -0.7025 -0.5108 -0.5108 1.0057 1.0057 5.3659 5.3659 5.7510 5.7510 6.2266 6.2266 6.8336 6.8336 7.0175 7.0175 7.1885 7.1885 7.5813 7.5813 8.6974 8.6974 8.7525 8.7525 k = 0.0000 0.0000 0.0141 ( 14491 PWs) bands (ev): -40.5986 -40.5986 -40.5977 -40.5977 -4.3907 -4.3907 -3.2875 -3.2875 -1.1729 -1.1729 -1.1506 -1.1506 -1.1302 -1.1302 -0.9824 -0.9824 -0.8773 -0.8773 -0.8262 -0.8262 -0.7508 -0.7508 -0.7446 -0.7446 -0.7025 -0.7025 -0.5129 -0.5129 1.0129 1.0129 5.3670 5.3670 5.7522 5.7522 6.2208 6.2208 6.8321 6.8321 6.9751 6.9751 7.1899 7.1899 7.6243 7.6243 8.6981 8.6981 8.7531 8.7531 k = 0.0000 0.0000 0.0281 ( 14509 PWs) bands (ev): -40.5986 -40.5986 -40.5977 -40.5977 -4.3874 -4.3874 -3.2932 -3.2932 -1.1729 -1.1729 -1.1507 -1.1507 -1.1300 -1.1300 -0.9836 -0.9836 -0.8773 -0.8773 -0.8263 -0.8263 -0.7507 -0.7507 -0.7444 -0.7444 -0.7027 -0.7027 -0.5191 -0.5191 1.0341 1.0341 5.3703 5.3703 5.7557 5.7557 6.2022 6.2022 6.8275 6.8275 6.8756 6.8756 7.1941 7.1941 7.7261 7.7261 8.7002 8.7002 8.7546 8.7546 k = 0.0000 0.0000 0.0422 ( 14509 PWs) bands (ev): -40.5986 -40.5986 -40.5977 -40.5977 -4.3820 -4.3820 -3.3025 -3.3025 -1.1728 -1.1728 -1.1509 -1.1509 -1.1298 -1.1298 -0.9855 -0.9855 -0.8772 -0.8772 -0.8266 -0.8266 -0.7506 -0.7506 -0.7441 -0.7441 -0.7029 -0.7029 -0.5289 -0.5289 1.0689 1.0689 5.3759 5.3759 5.7615 5.7615 6.1675 6.1675 6.7572 6.7572 6.8198 6.8198 7.2012 7.2012 7.8508 7.8508 8.7038 8.7038 8.7573 8.7573 k = 0.0000 0.0000 0.0563 ( 14503 PWs) bands (ev): -40.5986 -40.5986 -40.5977 -40.5977 -4.3744 -4.3744 -3.3154 -3.3154 -1.1726 -1.1726 -1.1511 -1.1511 -1.1295 -1.1295 -0.9882 -0.9882 -0.8770 -0.8770 -0.8269 -0.8269 -0.7504 -0.7504 -0.7437 -0.7437 -0.7033 -0.7033 -0.5417 -0.5417 1.1165 1.1165 5.3836 5.3836 5.7697 5.7697 6.1113 6.1113 6.6422 6.6422 6.8091 6.8091 7.2110 7.2110 7.9797 7.9797 8.7089 8.7089 8.7612 8.7612 k = 0.0000 0.0000 0.0704 ( 14503 PWs) bands (ev): -40.5985 -40.5985 -40.5977 -40.5977 -4.3647 -4.3647 -3.3318 -3.3318 -1.1724 -1.1724 -1.1514 -1.1514 -1.1291 -1.1291 -0.9917 -0.9917 -0.8768 -0.8768 -0.8274 -0.8274 -0.7501 -0.7501 -0.7432 -0.7432 -0.7037 -0.7037 -0.5566 -0.5566 1.1759 1.1759 5.3936 5.3936 5.7802 5.7802 6.0276 6.0276 6.5439 6.5439 6.7954 6.7954 7.2237 7.2237 8.1026 8.1026 8.7157 8.7157 8.7666 8.7666 k = 0.0000 0.0000 0.0844 ( 14503 PWs) bands (ev): -40.5985 -40.5985 -40.5977 -40.5977 -4.3529 -4.3529 -3.3515 -3.3515 -1.1722 -1.1722 -1.1518 -1.1518 -1.1285 -1.1285 -0.9958 -0.9958 -0.8766 -0.8766 -0.8280 -0.8280 -0.7497 -0.7497 -0.7426 -0.7426 -0.7043 -0.7043 -0.5728 -0.5728 1.2461 1.2461 5.4056 5.4056 5.7929 5.7929 5.9151 5.9151 6.4669 6.4669 6.7789 6.7789 7.2392 7.2392 8.2124 8.2124 8.7245 8.7245 8.7736 8.7736 k = 0.0000 0.0000 0.0985 ( 14504 PWs) bands (ev): -40.5985 -40.5985 -40.5977 -40.5977 -4.3390 -4.3390 -3.3743 -3.3743 -1.1719 -1.1719 -1.1523 -1.1523 -1.1279 -1.1279 -1.0006 -1.0006 -0.8763 -0.8763 -0.8289 -0.8289 -0.7493 -0.7493 -0.7419 -0.7419 -0.7049 -0.7049 -0.5897 -0.5897 1.3262 1.3262 5.4198 5.4198 5.7791 5.7791 5.8078 5.8078 6.4080 6.4080 6.7595 6.7595 7.2574 7.2574 8.3031 8.3031 8.7352 8.7352 8.7824 8.7824 k = 0.0000 0.0000 0.1126 ( 14540 PWs) bands (ev): -40.5985 -40.5985 -40.5978 -40.5978 -4.3231 -4.3231 -3.3999 -3.3999 -1.1716 -1.1716 -1.1528 -1.1528 -1.1271 -1.1271 -1.0059 -1.0059 -0.8759 -0.8759 -0.8299 -0.8299 -0.7488 -0.7488 -0.7411 -0.7411 -0.7056 -0.7056 -0.6065 -0.6065 1.4152 1.4152 5.4361 5.4361 5.6273 5.6273 5.8250 5.8250 6.3608 6.3608 6.7374 6.7374 7.2785 7.2785 8.3701 8.3701 8.7480 8.7480 8.7934 8.7934 k = 0.0000 0.0000 0.1266 ( 14540 PWs) bands (ev): -40.5985 -40.5985 -40.5978 -40.5978 -4.3051 -4.3051 -3.4282 -3.4282 -1.1712 -1.1712 -1.1533 -1.1533 -1.1261 -1.1261 -1.0118 -1.0118 -0.8755 -0.8755 -0.8311 -0.8311 -0.7483 -0.7483 -0.7402 -0.7402 -0.7064 -0.7064 -0.6227 -0.6227 1.5122 1.5122 5.4543 5.4543 5.4657 5.4657 5.8442 5.8442 6.3201 6.3201 6.7127 6.7127 7.3024 7.3024 8.4112 8.4112 8.7629 8.7629 8.8067 8.8067 k = 0.0000 0.0000 0.1407 ( 14540 PWs) bands (ev): -40.5985 -40.5985 -40.5978 -40.5978 -4.2851 -4.2851 -3.4589 -3.4589 -1.1708 -1.1708 -1.1539 -1.1539 -1.1251 -1.1251 -1.0181 -1.0181 -0.8750 -0.8750 -0.8325 -0.8325 -0.7477 -0.7477 -0.7392 -0.7392 -0.7073 -0.7073 -0.6381 -0.6381 1.6166 1.6166 5.2983 5.2983 5.4746 5.4746 5.8656 5.8656 6.2826 6.2826 6.6857 6.6857 7.3291 7.3291 8.4272 8.4272 8.7801 8.7801 8.8225 8.8225 k = 0.0000 0.0000 0.1548 ( 14546 PWs) bands (ev): -40.5985 -40.5985 -40.5978 -40.5978 -4.2632 -4.2632 -3.4916 -3.4916 -1.1704 -1.1704 -1.1545 -1.1545 -1.1238 -1.1238 -1.0247 -1.0247 -0.8744 -0.8744 -0.8342 -0.8342 -0.7470 -0.7470 -0.7381 -0.7381 -0.7083 -0.7083 -0.6522 -0.6522 1.7277 1.7277 5.1276 5.1276 5.4967 5.4967 5.8889 5.8889 6.2466 6.2466 6.6564 6.6564 7.3585 7.3585 8.4217 8.4217 8.7996 8.7996 8.8410 8.8410 k = 0.0000 0.0000 0.1688 ( 14546 PWs) bands (ev): -40.5984 -40.5984 -40.5978 -40.5978 -4.2394 -4.2394 -3.5262 -3.5262 -1.1699 -1.1699 -1.1552 -1.1552 -1.1224 -1.1224 -1.0316 -1.0316 -0.8737 -0.8737 -0.8360 -0.8360 -0.7462 -0.7462 -0.7369 -0.7369 -0.7094 -0.7094 -0.6650 -0.6650 1.8448 1.8448 4.9551 4.9551 5.5207 5.5207 5.9142 5.9142 6.2109 6.2109 6.6251 6.6251 7.3907 7.3907 8.3987 8.3987 8.8219 8.8219 8.8623 8.8623 k = 0.0000 0.0000 0.1829 ( 14516 PWs) bands (ev): -40.5984 -40.5984 -40.5979 -40.5979 -4.2138 -4.2138 -3.5624 -3.5624 -1.1693 -1.1693 -1.1559 -1.1559 -1.1207 -1.1207 -1.0386 -1.0386 -0.8729 -0.8729 -0.8381 -0.8381 -0.7453 -0.7453 -0.7357 -0.7357 -0.7105 -0.7105 -0.6765 -0.6765 1.9676 1.9676 4.7818 4.7818 5.5464 5.5464 5.9413 5.9413 6.1751 6.1751 6.5919 6.5919 7.4256 7.4256 8.3628 8.3628 8.8469 8.8469 8.8867 8.8867 k = 0.0000 0.0000 0.1970 ( 14528 PWs) bands (ev): -40.5984 -40.5984 -40.5979 -40.5979 -4.1864 -4.1864 -3.5998 -3.5998 -1.1688 -1.1688 -1.1567 -1.1567 -1.1189 -1.1189 -1.0456 -1.0456 -0.8720 -0.8720 -0.8403 -0.8403 -0.7443 -0.7443 -0.7344 -0.7344 -0.7117 -0.7117 -0.6865 -0.6865 2.0956 2.0956 4.6084 4.6084 5.5738 5.5738 5.9702 5.9702 6.1389 6.1389 6.5572 6.5572 7.4632 7.4632 8.3175 8.3175 8.8750 8.8750 8.9143 8.9143 k = 0.0000 0.0000 0.2111 ( 14552 PWs) bands (ev): -40.5983 -40.5983 -40.5979 -40.5979 -4.1573 -4.1573 -3.6382 -3.6382 -1.1682 -1.1682 -1.1575 -1.1575 -1.1168 -1.1168 -1.0525 -1.0525 -0.8709 -0.8709 -0.8427 -0.8427 -0.7433 -0.7433 -0.7331 -0.7331 -0.7129 -0.7129 -0.6953 -0.6953 2.2283 2.2283 4.4355 4.4355 5.6027 5.6027 6.0008 6.0008 6.1022 6.1022 6.5211 6.5211 7.5034 7.5034 8.2657 8.2657 8.9061 8.9061 8.9450 8.9450 k = 0.0000 0.0000 0.2251 ( 14540 PWs) bands (ev): -40.5983 -40.5983 -40.5980 -40.5980 -4.1267 -4.1267 -3.6774 -3.6774 -1.1675 -1.1675 -1.1582 -1.1582 -1.1144 -1.1144 -1.0593 -1.0593 -0.8698 -0.8698 -0.8452 -0.8452 -0.7420 -0.7420 -0.7317 -0.7317 -0.7142 -0.7142 -0.7029 -0.7029 2.3655 2.3655 4.2635 4.2635 5.6331 5.6331 6.0329 6.0329 6.0652 6.0652 6.4839 6.4839 7.5463 7.5463 8.2096 8.2096 8.9404 8.9404 8.9790 8.9790 k = 0.0000 0.0000 0.2392 ( 14540 PWs) bands (ev): -40.5983 -40.5983 -40.5980 -40.5980 -4.0945 -4.0945 -3.7170 -3.7170 -1.1669 -1.1669 -1.1590 -1.1590 -1.1118 -1.1118 -1.0658 -1.0658 -0.8684 -0.8684 -0.8477 -0.8477 -0.7407 -0.7407 -0.7303 -0.7303 -0.7156 -0.7156 -0.7094 -0.7094 2.5069 2.5069 4.0927 4.0927 5.6649 5.6649 6.0277 6.0277 6.0664 6.0664 6.4458 6.4458 7.5917 7.5917 8.1510 8.1510 8.9778 8.9778 9.0164 9.0164 k = 0.0000 0.0000 0.2533 ( 14546 PWs) bands (ev): -40.5983 -40.5983 -40.5980 -40.5980 -4.0609 -4.0609 -3.7569 -3.7569 -1.1662 -1.1662 -1.1599 -1.1599 -1.1088 -1.1088 -1.0721 -1.0721 -0.8670 -0.8670 -0.8502 -0.8502 -0.7391 -0.7391 -0.7288 -0.7288 -0.7170 -0.7170 -0.7150 -0.7150 2.6520 2.6520 3.9234 3.9234 5.6979 5.6979 5.9900 5.9900 6.1012 6.1012 6.4071 6.4071 7.6396 7.6396 8.0910 8.0910 9.0184 9.0184 9.0570 9.0570 k = 0.0000 0.0000 0.2673 ( 14564 PWs) bands (ev): -40.5982 -40.5982 -40.5981 -40.5981 -4.0260 -4.0260 -3.7969 -3.7969 -1.1654 -1.1654 -1.1607 -1.1607 -1.1055 -1.1055 -1.0780 -1.0780 -0.8654 -0.8654 -0.8527 -0.8527 -0.7374 -0.7374 -0.7274 -0.7274 -0.7198 -0.7198 -0.7184 -0.7184 2.8008 2.8008 3.7559 3.7559 5.7321 5.7321 5.9522 5.9522 6.1372 6.1372 6.3680 6.3680 7.6898 7.6898 8.0306 8.0306 9.0622 9.0622 9.1011 9.1011 k = 0.0000 0.0000 0.2814 ( 14576 PWs) bands (ev): -40.5982 -40.5982 -40.5981 -40.5981 -3.9899 -3.9899 -3.8366 -3.8366 -1.1647 -1.1647 -1.1615 -1.1615 -1.1019 -1.1019 -1.0835 -1.0835 -0.8636 -0.8636 -0.8551 -0.8551 -0.7354 -0.7354 -0.7259 -0.7259 -0.7239 -0.7239 -0.7199 -0.7199 2.9529 2.9529 3.5904 3.5904 5.7672 5.7672 5.9145 5.9145 6.1742 6.1742 6.3287 6.3287 7.7423 7.7423 7.9705 7.9705 9.1093 9.1093 9.1484 9.1484 k = 0.0000 0.0000 0.2955 ( 14588 PWs) bands (ev): -40.5982 -40.5982 -40.5981 -40.5981 -3.9528 -3.9528 -3.8760 -3.8760 -1.1639 -1.1639 -1.1623 -1.1623 -1.0979 -1.0979 -1.0887 -1.0887 -0.8617 -0.8617 -0.8574 -0.8574 -0.7331 -0.7331 -0.7275 -0.7275 -0.7244 -0.7244 -0.7214 -0.7214 3.1082 3.1082 3.4271 3.4271 5.8031 5.8031 5.8769 5.8769 6.2120 6.2120 6.2895 6.2895 7.7968 7.7968 7.9112 7.9112 9.1595 9.1595 9.1991 9.1991 k = 0.0000 0.0000 0.3096 ( 14588 PWs) bands (ev): -40.5981 -40.5981 -40.5981 -40.5981 -3.9147 -3.9147 -3.9147 -3.9147 -1.1631 -1.1631 -1.1631 -1.1631 -1.0935 -1.0935 -1.0935 -1.0935 -0.8596 -0.8596 -0.8596 -0.8596 -0.7305 -0.7305 -0.7305 -0.7305 -0.7229 -0.7229 -0.7229 -0.7229 3.2663 3.2663 3.2663 3.2663 5.8398 5.8398 5.8398 5.8398 6.2505 6.2505 6.2505 6.2505 7.8532 7.8532 7.8532 7.8532 9.2129 9.2129 9.2129 9.2129 k = 0.0000 0.0000 0.3096 ( 14588 PWs) bands (ev): -40.5981 -40.5981 -40.5981 -40.5981 -3.9147 -3.9147 -3.9147 -3.9147 -1.1631 -1.1631 -1.1631 -1.1631 -1.0935 -1.0935 -1.0935 -1.0935 -0.8596 -0.8596 -0.8596 -0.8596 -0.7305 -0.7305 -0.7305 -0.7305 -0.7229 -0.7229 -0.7229 -0.7229 3.2663 3.2663 3.2663 3.2663 5.8398 5.8398 5.8398 5.8398 6.2505 6.2505 6.2505 6.2505 7.8532 7.8532 7.8532 7.8532 9.2129 9.2129 9.2129 9.2129 k = 0.0122 0.0070 0.3096 ( 14576 PWs) bands (ev): -40.5981 -40.5981 -40.5981 -40.5981 -3.9138 -3.9138 -3.9137 -3.9137 -1.1631 -1.1631 -1.1631 -1.1631 -1.0950 -1.0950 -1.0918 -1.0918 -0.8600 -0.8600 -0.8590 -0.8590 -0.7317 -0.7317 -0.7296 -0.7296 -0.7227 -0.7227 -0.7227 -0.7227 3.2628 3.2628 3.2690 3.2690 5.8193 5.8193 5.8430 5.8430 6.2394 6.2394 6.2399 6.2399 7.8559 7.8559 7.8767 7.8767 9.2153 9.2153 9.2160 9.2160 k = 0.0244 0.0141 0.3096 ( 14580 PWs) bands (ev): -40.5981 -40.5981 -40.5981 -40.5981 -3.9109 -3.9109 -3.9106 -3.9106 -1.1629 -1.1629 -1.1628 -1.1628 -1.0966 -1.0966 -1.0902 -1.0902 -0.8603 -0.8603 -0.8584 -0.8584 -0.7330 -0.7330 -0.7291 -0.7291 -0.7224 -0.7224 -0.7220 -0.7220 3.2584 3.2584 3.2710 3.2710 5.7812 5.7812 5.8291 5.8291 6.2074 6.2074 6.2105 6.2105 7.8837 7.8837 7.9234 7.9234 9.2208 9.2208 9.2222 9.2222 k = 0.0366 0.0211 0.3096 ( 14576 PWs) bands (ev): -40.5981 -40.5981 -40.5981 -40.5981 -3.9060 -3.9060 -3.9056 -3.9056 -1.1625 -1.1625 -1.1625 -1.1625 -1.0980 -1.0980 -1.0885 -1.0885 -0.8604 -0.8604 -0.8575 -0.8575 -0.7344 -0.7344 -0.7289 -0.7289 -0.7219 -0.7219 -0.7210 -0.7210 3.2530 3.2530 3.2720 3.2720 5.7253 5.7253 5.7978 5.7978 6.1590 6.1590 6.1680 6.1680 7.9319 7.9319 7.9870 7.9870 9.2266 9.2266 9.2279 9.2279 k = 0.0488 0.0282 0.3096 ( 14580 PWs) bands (ev): -40.5981 -40.5981 -40.5981 -40.5981 -3.8991 -3.8991 -3.8986 -3.8986 -1.1621 -1.1621 -1.1620 -1.1620 -1.0995 -1.0995 -1.0867 -1.0867 -0.8604 -0.8604 -0.8566 -0.8566 -0.7358 -0.7358 -0.7290 -0.7290 -0.7213 -0.7213 -0.7196 -0.7196 3.2464 3.2464 3.2719 3.2719 5.6523 5.6523 5.7484 5.7484 6.1009 6.1009 6.1175 6.1175 7.9931 7.9931 8.0597 8.0597 9.2350 9.2350 9.2352 9.2352 k = 0.0610 0.0352 0.3096 ( 14576 PWs) bands (ev): -40.5981 -40.5981 -40.5981 -40.5981 -3.8903 -3.8903 -3.8897 -3.8897 -1.1616 -1.1616 -1.1613 -1.1613 -1.1008 -1.1008 -1.0849 -1.0849 -0.8602 -0.8602 -0.8556 -0.8556 -0.7372 -0.7372 -0.7293 -0.7293 -0.7207 -0.7207 -0.7179 -0.7179 3.2383 3.2383 3.2705 3.2705 5.5645 5.5645 5.6812 5.6812 6.0390 6.0390 6.0629 6.0629 8.0593 8.0593 8.1332 8.1332 9.2481 9.2481 9.2517 9.2517 k = 0.0732 0.0422 0.3096 ( 14568 PWs) bands (ev): -40.5981 -40.5981 -40.5981 -40.5981 -3.8795 -3.8795 -3.8788 -3.8788 -1.1609 -1.1609 -1.1605 -1.1605 -1.1022 -1.1022 -1.0831 -1.0831 -0.8598 -0.8598 -0.8544 -0.8544 -0.7386 -0.7386 -0.7297 -0.7297 -0.7201 -0.7201 -0.7161 -0.7161 3.2283 3.2283 3.2674 3.2674 5.4649 5.4649 5.5983 5.5983 5.9771 5.9771 6.0062 6.0062 8.1226 8.1226 8.1995 8.1995 9.2720 9.2720 9.2816 9.2816 k = 0.0854 0.0493 0.3096 ( 14554 PWs) bands (ev): -40.5981 -40.5981 -40.5981 -40.5981 -3.8669 -3.8669 -3.8660 -3.8660 -1.1601 -1.1601 -1.1595 -1.1595 -1.1034 -1.1034 -1.0812 -1.0812 -0.8593 -0.8593 -0.8531 -0.8531 -0.7399 -0.7399 -0.7301 -0.7301 -0.7194 -0.7194 -0.7142 -0.7142 3.2159 3.2159 3.2620 3.2620 5.3572 5.3572 5.5035 5.5035 5.9162 5.9162 5.9483 5.9483 8.1762 8.1762 8.2519 8.2519 9.3106 9.3106 9.3292 9.3292 k = 0.0976 0.0563 0.3096 ( 14550 PWs) bands (ev): -40.5981 -40.5981 -40.5981 -40.5981 -3.8524 -3.8524 -3.8514 -3.8514 -1.1593 -1.1593 -1.1583 -1.1583 -1.1046 -1.1046 -1.0792 -1.0792 -0.8586 -0.8586 -0.8518 -0.8518 -0.7412 -0.7412 -0.7305 -0.7305 -0.7186 -0.7186 -0.7123 -0.7123 3.2005 3.2005 3.2537 3.2537 5.2448 5.2448 5.4011 5.4011 5.8562 5.8562 5.8892 5.8892 8.2153 8.2153 8.2866 8.2866 9.3667 9.3667 9.3971 9.3971 k = 0.1098 0.0634 0.3096 ( 14550 PWs) bands (ev): -40.5981 -40.5981 -40.5981 -40.5981 -3.8361 -3.8361 -3.8349 -3.8349 -1.1584 -1.1584 -1.1570 -1.1570 -1.1057 -1.1057 -1.0772 -1.0772 -0.8577 -0.8577 -0.8504 -0.8504 -0.7424 -0.7424 -0.7309 -0.7309 -0.7178 -0.7178 -0.7102 -0.7102 3.1813 3.1813 3.2418 3.2418 5.1310 5.1310 5.2954 5.2954 5.7963 5.7963 5.8292 5.8292 8.2378 8.2378 8.3025 8.3025 9.4405 9.4405 9.4847 9.4847 k = 0.1220 0.0704 0.3096 ( 14534 PWs) bands (ev): -40.5981 -40.5981 -40.5981 -40.5981 -3.8180 -3.8180 -3.8167 -3.8167 -1.1573 -1.1573 -1.1554 -1.1554 -1.1067 -1.1067 -1.0751 -1.0751 -0.8566 -0.8566 -0.8488 -0.8488 -0.7436 -0.7436 -0.7313 -0.7313 -0.7170 -0.7170 -0.7080 -0.7080 3.1576 3.1576 3.2252 3.2252 5.0188 5.0188 5.1897 5.1897 5.7363 5.7363 5.7683 5.7683 8.2443 8.2443 8.3018 8.3018 9.5296 9.5296 9.5885 9.5885 k = 0.1341 0.0774 0.3096 ( 14514 PWs) bands (ev): -40.5981 -40.5981 -40.5981 -40.5981 -3.7981 -3.7981 -3.7968 -3.7968 -1.1562 -1.1562 -1.1537 -1.1537 -1.1077 -1.1077 -1.0729 -1.0729 -0.8553 -0.8553 -0.8472 -0.8472 -0.7447 -0.7447 -0.7316 -0.7316 -0.7161 -0.7161 -0.7058 -0.7058 3.1286 3.1286 3.2028 3.2028 4.9106 4.9106 5.0870 5.0870 5.6758 5.6758 5.7068 5.7068 8.2371 8.2371 8.2877 8.2877 9.6296 9.6296 9.7036 9.7036 k = 0.1463 0.0845 0.3096 ( 14514 PWs) bands (ev): -40.5981 -40.5981 -40.5981 -40.5981 -3.7766 -3.7766 -3.7752 -3.7752 -1.1550 -1.1550 -1.1517 -1.1517 -1.1085 -1.1085 -1.0706 -1.0706 -0.8538 -0.8538 -0.8456 -0.8456 -0.7457 -0.7457 -0.7319 -0.7319 -0.7151 -0.7151 -0.7035 -0.7035 3.0933 3.0933 3.1735 3.1735 4.8088 4.8088 4.9896 4.9896 5.6151 5.6151 5.6449 5.6449 8.2191 8.2191 8.2636 8.2636 9.7351 9.7351 9.8241 9.8241 k = 0.1585 0.0915 0.3096 ( 14514 PWs) bands (ev): -40.5981 -40.5981 -40.5981 -40.5981 -3.7536 -3.7536 -3.7520 -3.7520 -1.1538 -1.1538 -1.1496 -1.1496 -1.1093 -1.1093 -1.0682 -1.0682 -0.8521 -0.8521 -0.8439 -0.8439 -0.7466 -0.7466 -0.7321 -0.7321 -0.7141 -0.7141 -0.7011 -0.7011 3.0509 3.0509 3.1360 3.1360 4.7155 4.7155 4.8994 4.8994 5.5542 5.5542 5.5829 5.5829 8.1932 8.1932 8.2325 8.2325 9.8398 9.8398 9.9437 9.9437 k = 0.1707 0.0986 0.3096 ( 14514 PWs) bands (ev): -40.5981 -40.5981 -40.5981 -40.5981 -3.7290 -3.7290 -3.7273 -3.7273 -1.1525 -1.1525 -1.1473 -1.1473 -1.1099 -1.1099 -1.0657 -1.0657 -0.8502 -0.8502 -0.8422 -0.8422 -0.7474 -0.7474 -0.7322 -0.7322 -0.7129 -0.7129 -0.6986 -0.6986 3.0007 3.0007 3.0893 3.0893 4.6325 4.6325 4.8179 4.8179 5.4934 5.4934 5.5211 5.5211 8.1616 8.1616 8.1966 8.1966 9.9361 9.9361 10.0545 10.0545 k = 0.1829 0.1056 0.3096 ( 14504 PWs) bands (ev): -40.5981 -40.5981 -40.5981 -40.5981 -3.7030 -3.7030 -3.7012 -3.7012 -1.1511 -1.1511 -1.1447 -1.1447 -1.1103 -1.1103 -1.0631 -1.0631 -0.8482 -0.8482 -0.8404 -0.8404 -0.7482 -0.7482 -0.7322 -0.7322 -0.7117 -0.7117 -0.6960 -0.6960 2.9423 2.9423 3.0327 3.0327 4.5610 4.5610 4.7462 4.7462 5.4329 5.4329 5.4599 5.4599 8.1263 8.1263 8.1576 8.1576 10.0140 10.0140 10.1450 10.1450 k = 0.1951 0.1127 0.3096 ( 14504 PWs) bands (ev): -40.5981 -40.5981 -40.5981 -40.5981 -3.6756 -3.6756 -3.6737 -3.6737 -1.1497 -1.1497 -1.1420 -1.1420 -1.1106 -1.1106 -1.0603 -1.0603 -0.8459 -0.8459 -0.8386 -0.8386 -0.7488 -0.7488 -0.7321 -0.7321 -0.7104 -0.7104 -0.6933 -0.6933 2.8756 2.8756 2.9659 2.9659 4.5017 4.5017 4.6848 4.6848 5.3731 5.3731 5.3994 5.3994 8.0888 8.0888 8.1170 8.1170 10.0616 10.0616 10.1979 10.1979 k = 0.2073 0.1197 0.3096 ( 14512 PWs) bands (ev): -40.5981 -40.5981 -40.5981 -40.5981 -3.6470 -3.6470 -3.6450 -3.6450 -1.1483 -1.1483 -1.1392 -1.1392 -1.1106 -1.1106 -1.0574 -1.0574 -0.8434 -0.8434 -0.8368 -0.8368 -0.7492 -0.7492 -0.7319 -0.7319 -0.7090 -0.7090 -0.6905 -0.6905 2.8008 2.8008 2.8893 2.8893 4.4545 4.4545 4.6339 4.6339 5.3143 5.3143 5.3400 5.3400 8.0500 8.0500 8.0756 8.0756 10.0692 10.0692 10.1994 10.1994 k = 0.2195 0.1267 0.3096 ( 14500 PWs) bands (ev): -40.5981 -40.5981 -40.5981 -40.5981 -3.6174 -3.6174 -3.6153 -3.6153 -1.1469 -1.1469 -1.1364 -1.1364 -1.1102 -1.1102 -1.0543 -1.0543 -0.8407 -0.8407 -0.8351 -0.8351 -0.7496 -0.7496 -0.7315 -0.7315 -0.7073 -0.7073 -0.6874 -0.6874 2.7185 2.7185 2.8037 2.8037 4.4189 4.4189 4.5931 4.5931 5.2566 5.2566 5.2819 5.2819 8.0110 8.0110 8.0343 8.0343 10.0369 10.0369 10.1535 10.1535 k = 0.2317 0.1338 0.3096 ( 14498 PWs) bands (ev): -40.5981 -40.5981 -40.5981 -40.5981 -3.5867 -3.5867 -3.5845 -3.5845 -1.1454 -1.1454 -1.1337 -1.1337 -1.1093 -1.1093 -1.0511 -1.0511 -0.8379 -0.8379 -0.8333 -0.8333 -0.7497 -0.7497 -0.7310 -0.7310 -0.7056 -0.7056 -0.6842 -0.6842 2.6296 2.6296 2.7104 2.7104 4.3938 4.3938 4.5617 4.5617 5.2004 5.2004 5.2253 5.2253 7.9722 7.9722 7.9937 7.9937 9.9735 9.9735 10.0760 10.0760 k = 0.2439 0.1408 0.3096 ( 14496 PWs) bands (ev): -40.5981 -40.5981 -40.5981 -40.5981 -3.5552 -3.5552 -3.5529 -3.5529 -1.1440 -1.1440 -1.1312 -1.1312 -1.1078 -1.1078 -1.0476 -1.0476 -0.8349 -0.8349 -0.8316 -0.8316 -0.7496 -0.7496 -0.7304 -0.7304 -0.7036 -0.7036 -0.6808 -0.6808 2.5352 2.5352 2.6109 2.6109 4.3779 4.3779 4.5390 4.5390 5.1458 5.1458 5.1706 5.1706 7.9343 7.9343 7.9541 7.9541 9.8897 9.8897 9.9802 9.9802 k = 0.2561 0.1479 0.3096 ( 14490 PWs) bands (ev): -40.5981 -40.5981 -40.5981 -40.5981 -3.5230 -3.5230 -3.5207 -3.5207 -1.1425 -1.1425 -1.1291 -1.1291 -1.1055 -1.1055 -1.0440 -1.0440 -0.8318 -0.8318 -0.8299 -0.8299 -0.7493 -0.7493 -0.7296 -0.7296 -0.7013 -0.7013 -0.6770 -0.6770 2.4364 2.4364 2.5066 2.5066 4.3699 4.3699 4.5237 4.5237 5.0932 5.0932 5.1180 5.1180 7.8977 7.8977 7.9160 7.9160 9.7936 9.7936 9.8744 9.8744 k = 0.2683 0.1549 0.3096 ( 14490 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -3.4902 -3.4902 -3.4879 -3.4879 -1.1411 -1.1411 -1.1275 -1.1275 -1.1022 -1.1022 -1.0402 -1.0402 -0.8287 -0.8287 -0.8283 -0.8283 -0.7487 -0.7487 -0.7287 -0.7287 -0.6987 -0.6987 -0.6730 -0.6730 2.3343 2.3343 2.3990 2.3990 4.3684 4.3684 4.5149 4.5149 5.0429 5.0429 5.0676 5.0676 7.8627 7.8627 7.8796 7.8796 9.6905 9.6905 9.7635 9.7635 k = 0.2805 0.1619 0.3096 ( 14498 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -3.4571 -3.4571 -3.4547 -3.4547 -1.1398 -1.1398 -1.1264 -1.1264 -1.0980 -1.0980 -1.0362 -1.0362 -0.8268 -0.8268 -0.8255 -0.8255 -0.7478 -0.7478 -0.7277 -0.7277 -0.6958 -0.6958 -0.6685 -0.6685 2.2301 2.2301 2.2893 2.2893 4.3721 4.3721 4.5114 4.5114 4.9950 4.9950 5.0199 5.0199 7.8296 7.8296 7.8453 7.8453 9.5839 9.5839 9.6504 9.6504 k = 0.2927 0.1690 0.3096 ( 14508 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -3.4239 -3.4239 -3.4215 -3.4215 -1.1384 -1.1384 -1.1256 -1.1256 -1.0931 -1.0931 -1.0321 -1.0321 -0.8253 -0.8253 -0.8224 -0.8224 -0.7466 -0.7466 -0.7266 -0.7266 -0.6923 -0.6923 -0.6637 -0.6637 2.1248 2.1248 2.1788 2.1788 4.3798 4.3798 4.5120 4.5120 4.9499 4.9499 4.9749 4.9749 7.7986 7.7986 7.8131 7.8131 9.4758 9.4758 9.5370 9.5370 k = 0.3049 0.1760 0.3096 ( 14516 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -3.3907 -3.3907 -3.3882 -3.3882 -1.1372 -1.1372 -1.1252 -1.1252 -1.0875 -1.0875 -1.0278 -1.0278 -0.8240 -0.8240 -0.8194 -0.8194 -0.7450 -0.7450 -0.7254 -0.7254 -0.6883 -0.6883 -0.6583 -0.6583 2.0194 2.0194 2.0685 2.0685 4.3905 4.3905 4.5157 4.5157 4.9080 4.9080 4.9330 4.9330 7.7700 7.7700 7.7834 7.7834 9.3680 9.3680 9.4245 9.4245 k = 0.3171 0.1831 0.3096 ( 14506 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -3.3577 -3.3577 -3.3553 -3.3553 -1.1360 -1.1360 -1.1249 -1.1249 -1.0813 -1.0813 -1.0234 -1.0234 -0.8227 -0.8227 -0.8166 -0.8166 -0.7432 -0.7432 -0.7241 -0.7241 -0.6836 -0.6836 -0.6524 -0.6524 1.9147 1.9147 1.9592 1.9592 4.4030 4.4030 4.5213 4.5213 4.8699 4.8699 4.8947 4.8947 7.7438 7.7438 7.7562 7.7562 9.2614 9.2614 9.3139 9.3139 k = 0.3293 0.1901 0.3096 ( 14504 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -3.3252 -3.3252 -3.3228 -3.3228 -1.1348 -1.1348 -1.1247 -1.1247 -1.0747 -1.0747 -1.0190 -1.0190 -0.8214 -0.8214 -0.8141 -0.8141 -0.7410 -0.7410 -0.7229 -0.7229 -0.6780 -0.6780 -0.6459 -0.6459 1.8115 1.8115 1.8517 1.8517 4.4164 4.4164 4.5274 4.5274 4.8360 4.8360 4.8602 4.8602 7.7203 7.7203 7.7317 7.7317 9.1571 9.1571 9.2059 9.2059 k = 0.3415 0.1971 0.3096 ( 14502 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -3.2934 -3.2934 -3.2910 -3.2910 -1.1338 -1.1338 -1.1247 -1.1247 -1.0677 -1.0677 -1.0146 -1.0146 -0.8203 -0.8203 -0.8118 -0.8118 -0.7386 -0.7386 -0.7216 -0.7216 -0.6714 -0.6714 -0.6388 -0.6388 1.7107 1.7107 1.7469 1.7469 4.4297 4.4297 4.5328 4.5328 4.8074 4.8074 4.8301 4.8301 7.6995 7.6995 7.7099 7.7099 9.0557 9.0557 9.1011 9.1011 k = 0.3537 0.2042 0.3096 ( 14510 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -3.2626 -3.2626 -3.2603 -3.2603 -1.1328 -1.1328 -1.1247 -1.1247 -1.0605 -1.0605 -1.0103 -1.0103 -0.8192 -0.8192 -0.8100 -0.8100 -0.7361 -0.7361 -0.7204 -0.7204 -0.6638 -0.6638 -0.6310 -0.6310 1.6128 1.6128 1.6454 1.6454 4.4417 4.4417 4.5360 4.5360 4.7848 4.7848 4.8050 4.8050 7.6815 7.6815 7.6910 7.6910 8.9579 8.9579 9.0000 9.0000 k = 0.3659 0.2112 0.3096 ( 14508 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -3.2330 -3.2330 -3.2308 -3.2308 -1.1319 -1.1319 -1.1247 -1.1247 -1.0531 -1.0531 -1.0062 -1.0062 -0.8181 -0.8181 -0.8084 -0.8084 -0.7336 -0.7336 -0.7193 -0.7193 -0.6550 -0.6550 -0.6226 -0.6226 1.5187 1.5187 1.5478 1.5478 4.4516 4.4516 4.5358 4.5358 4.7691 4.7691 4.7852 4.7852 7.6665 7.6665 7.6749 7.6749 8.8643 8.8643 8.9032 8.9032 k = 0.3780 0.2183 0.3096 ( 14516 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -3.2049 -3.2049 -3.2027 -3.2027 -1.1310 -1.1310 -1.1248 -1.1248 -1.0457 -1.0457 -1.0023 -1.0023 -0.8171 -0.8171 -0.8073 -0.8073 -0.7311 -0.7311 -0.7182 -0.7182 -0.6450 -0.6450 -0.6135 -0.6135 1.4290 1.4290 1.4549 1.4549 4.4586 4.4586 4.5313 4.5313 4.7604 4.7604 4.7713 4.7713 7.6543 7.6543 7.6618 7.6618 8.7753 8.7753 8.8111 8.8111 k = 0.3902 0.2253 0.3096 ( 14508 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -3.1785 -3.1785 -3.1764 -3.1764 -1.1303 -1.1303 -1.1248 -1.1248 -1.0383 -1.0383 -0.9987 -0.9987 -0.8162 -0.8162 -0.8064 -0.8064 -0.7287 -0.7287 -0.7173 -0.7173 -0.6340 -0.6340 -0.6040 -0.6040 1.3445 1.3445 1.3673 1.3673 4.4622 4.4622 4.5231 4.5231 4.7580 4.7580 4.7631 4.7631 7.6450 7.6450 7.6515 7.6515 8.6916 8.6916 8.7243 8.7243 k = 0.4024 0.2323 0.3096 ( 14518 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -3.1540 -3.1540 -3.1521 -3.1521 -1.1296 -1.1296 -1.1249 -1.1249 -1.0311 -1.0311 -0.9955 -0.9955 -0.8152 -0.8152 -0.8058 -0.8058 -0.7265 -0.7265 -0.7165 -0.7165 -0.6222 -0.6222 -0.5942 -0.5942 1.2658 1.2658 1.2857 1.2857 4.4626 4.4626 4.5122 4.5122 4.7602 4.7602 4.7604 4.7604 7.6384 7.6384 7.6439 7.6439 8.6137 8.6137 8.6433 8.6433 k = 0.4146 0.2394 0.3096 ( 14498 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -3.1318 -3.1318 -3.1300 -3.1300 -1.1290 -1.1290 -1.1250 -1.1250 -1.0242 -1.0242 -0.9927 -0.9927 -0.8143 -0.8143 -0.8056 -0.8056 -0.7245 -0.7245 -0.7158 -0.7158 -0.6097 -0.6097 -0.5843 -0.5843 1.1937 1.1937 1.2108 1.2108 4.4603 4.4603 4.4999 4.4999 4.7617 4.7617 4.7658 4.7658 7.6345 7.6345 7.6390 7.6390 8.5423 8.5423 8.5688 8.5688 k = 0.4268 0.2464 0.3096 ( 14498 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -3.1119 -3.1119 -3.1104 -3.1104 -1.1285 -1.1285 -1.1252 -1.1252 -1.0177 -1.0177 -0.9905 -0.9905 -0.8134 -0.8134 -0.8055 -0.8055 -0.7227 -0.7227 -0.7153 -0.7153 -0.5971 -0.5971 -0.5747 -0.5747 1.1290 1.1290 1.1435 1.1435 4.4564 4.4564 4.4874 4.4874 4.7661 4.7661 4.7728 4.7728 7.6328 7.6328 7.6364 7.6364 8.4780 8.4780 8.5012 8.5012 k = 0.4390 0.2535 0.3096 ( 14480 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -3.0947 -3.0947 -3.0934 -3.0934 -1.1280 -1.1280 -1.1253 -1.1253 -1.0117 -1.0117 -0.9889 -0.9889 -0.8125 -0.8125 -0.8056 -0.8056 -0.7211 -0.7211 -0.7150 -0.7150 -0.5848 -0.5848 -0.5657 -0.5657 1.0726 1.0726 1.0845 1.0845 4.4517 4.4517 4.4755 4.4755 4.7724 4.7724 4.7801 4.7801 7.6330 7.6330 7.6357 7.6357 8.4217 8.4217 8.4415 8.4415 k = 0.4512 0.2605 0.3096 ( 14468 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -3.0804 -3.0804 -3.0793 -3.0793 -1.1275 -1.1275 -1.1254 -1.1254 -1.0062 -1.0062 -0.9879 -0.9879 -0.8116 -0.8116 -0.8059 -0.8059 -0.7196 -0.7196 -0.7148 -0.7148 -0.5734 -0.5734 -0.5577 -0.5577 1.0252 1.0252 1.0346 1.0346 4.4472 4.4472 4.4650 4.4650 4.7793 4.7793 4.7867 4.7867 7.6347 7.6347 7.6366 7.6366 8.3741 8.3741 8.3903 8.3903 k = 0.4634 0.2676 0.3096 ( 14460 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -3.0690 -3.0690 -3.0682 -3.0682 -1.1271 -1.1271 -1.1256 -1.1256 -1.0013 -1.0013 -0.9876 -0.9876 -0.8107 -0.8107 -0.8064 -0.8064 -0.7184 -0.7184 -0.7148 -0.7148 -0.5632 -0.5632 -0.5513 -0.5513 0.9875 0.9875 0.9946 0.9946 4.4434 4.4434 4.4560 4.4560 4.7858 4.7858 4.7922 4.7922 7.6370 7.6370 7.6383 7.6383 8.3363 8.3363 8.3487 8.3487 k = 0.4756 0.2746 0.3096 ( 14464 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -3.0607 -3.0607 -3.0602 -3.0602 -1.1268 -1.1268 -1.1258 -1.1258 -0.9972 -0.9972 -0.9880 -0.9880 -0.8099 -0.8099 -0.8069 -0.8069 -0.7174 -0.7174 -0.7150 -0.7150 -0.5550 -0.5550 -0.5470 -0.5470 0.9604 0.9604 0.9651 0.9651 4.4409 4.4409 4.4490 4.4490 4.7914 4.7914 4.7960 4.7960 7.6394 7.6394 7.6401 7.6401 8.3090 8.3090 8.3174 8.3174 k = 0.4878 0.2816 0.3096 ( 14472 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -3.0557 -3.0557 -3.0554 -3.0554 -1.1265 -1.1265 -1.1260 -1.1260 -0.9938 -0.9938 -0.9892 -0.9892 -0.8091 -0.8091 -0.8076 -0.8076 -0.7165 -0.7165 -0.7153 -0.7153 -0.5490 -0.5490 -0.5450 -0.5450 0.9444 0.9444 0.9467 0.9467 4.4400 4.4400 4.4439 4.4439 4.7955 4.7955 4.7979 4.7979 7.6412 7.6412 7.6415 7.6415 8.2932 8.2932 8.2974 8.2974 k = 0.5000 0.2887 0.3096 ( 14468 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -3.0539 -3.0539 -3.0539 -3.0539 -1.1262 -1.1262 -1.1262 -1.1262 -0.9911 -0.9911 -0.9911 -0.9911 -0.8083 -0.8083 -0.8083 -0.8083 -0.7158 -0.7158 -0.7158 -0.7158 -0.5456 -0.5456 -0.5456 -0.5456 0.9398 0.9398 0.9398 0.9398 4.4410 4.4410 4.4410 4.4410 4.7977 4.7977 4.7977 4.7977 7.6419 7.6419 7.6419 7.6419 8.2892 8.2892 8.2892 8.2892 k = 0.5000 0.2887 0.3096 ( 14468 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -3.0539 -3.0539 -3.0539 -3.0539 -1.1262 -1.1262 -1.1262 -1.1262 -0.9911 -0.9911 -0.9911 -0.9911 -0.8083 -0.8083 -0.8083 -0.8083 -0.7158 -0.7158 -0.7158 -0.7158 -0.5456 -0.5456 -0.5456 -0.5456 0.9398 0.9398 0.9398 0.9398 4.4410 4.4410 4.4410 4.4410 4.7977 4.7977 4.7977 4.7977 7.6419 7.6419 7.6419 7.6419 8.2892 8.2892 8.2892 8.2892 k = 0.4931 0.3007 0.3096 ( 14464 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -3.0538 -3.0538 -3.0531 -3.0531 -1.1266 -1.1266 -1.1257 -1.1257 -0.9944 -0.9944 -0.9879 -0.9879 -0.8089 -0.8089 -0.8075 -0.8075 -0.7167 -0.7167 -0.7150 -0.7150 -0.5485 -0.5485 -0.5424 -0.5424 0.9381 0.9381 0.9425 0.9425 4.3951 4.3951 4.4563 4.4563 4.7749 4.7749 4.8373 4.8373 7.6452 7.6452 7.6540 7.6540 8.2906 8.2906 8.2958 8.2958 k = 0.4861 0.3127 0.3096 ( 14468 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -3.0528 -3.0528 -3.0515 -3.0515 -1.1268 -1.1268 -1.1251 -1.1251 -0.9978 -0.9978 -0.9847 -0.9847 -0.8092 -0.8092 -0.8064 -0.8064 -0.7178 -0.7178 -0.7143 -0.7143 -0.5509 -0.5509 -0.5387 -0.5387 0.9374 0.9374 0.9463 0.9463 4.3299 4.3299 4.4329 4.4329 4.7777 4.7777 4.8827 4.8827 7.6631 7.6631 7.6803 7.6803 8.3002 8.3002 8.3107 8.3107 k = 0.4792 0.3248 0.3096 ( 14452 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -3.0509 -3.0509 -3.0491 -3.0491 -1.1269 -1.1269 -1.1242 -1.1242 -1.0011 -1.0011 -0.9816 -0.9816 -0.8093 -0.8093 -0.8052 -0.8052 -0.7189 -0.7189 -0.7137 -0.7137 -0.5528 -0.5528 -0.5347 -0.5347 0.9378 0.9378 0.9512 0.9512 4.2523 4.2523 4.3770 4.3770 4.8009 4.8009 4.9278 4.9278 7.6937 7.6937 7.7184 7.7184 8.3194 8.3194 8.3356 8.3356 k = 0.4722 0.3368 0.3096 ( 14444 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -3.0482 -3.0482 -3.0458 -3.0458 -1.1268 -1.1268 -1.1232 -1.1232 -1.0045 -1.0045 -0.9787 -0.9787 -0.8091 -0.8091 -0.8038 -0.8038 -0.7201 -0.7201 -0.7133 -0.7133 -0.5543 -0.5543 -0.5303 -0.5303 0.9391 0.9391 0.9572 0.9572 4.1659 4.1659 4.3010 4.3010 4.8334 4.8334 4.9699 4.9699 7.7333 7.7333 7.7642 7.7642 8.3505 8.3505 8.3729 8.3729 k = 0.4653 0.3488 0.3096 ( 14444 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -3.0448 -3.0448 -3.0417 -3.0417 -1.1266 -1.1266 -1.1221 -1.1221 -1.0079 -1.0079 -0.9759 -0.9759 -0.8086 -0.8086 -0.8022 -0.8022 -0.7214 -0.7214 -0.7130 -0.7130 -0.5553 -0.5553 -0.5255 -0.5255 0.9413 0.9413 0.9641 0.9641 4.0731 4.0731 4.2133 4.2133 4.8687 4.8687 5.0085 5.0085 7.7773 7.7773 7.8128 7.8128 8.3968 8.3968 8.4254 8.4254 k = 0.4583 0.3608 0.3096 ( 14448 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -3.0405 -3.0405 -3.0369 -3.0369 -1.1263 -1.1263 -1.1208 -1.1208 -1.0112 -1.0112 -0.9732 -0.9732 -0.8079 -0.8079 -0.8004 -0.8004 -0.7227 -0.7227 -0.7128 -0.7128 -0.5557 -0.5557 -0.5204 -0.5204 0.9443 0.9443 0.9720 0.9720 3.9757 3.9757 4.1187 4.1187 4.9038 4.9038 5.0434 5.0434 7.8208 7.8208 7.8590 7.8590 8.4616 8.4616 8.4962 8.4962 k = 0.4514 0.3729 0.3096 ( 14462 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -3.0356 -3.0356 -3.0314 -3.0314 -1.1260 -1.1260 -1.1193 -1.1193 -1.0144 -1.0144 -0.9708 -0.9708 -0.8069 -0.8069 -0.7985 -0.7985 -0.7241 -0.7241 -0.7127 -0.7127 -0.5557 -0.5557 -0.5151 -0.5151 0.9479 0.9479 0.9806 0.9806 3.8752 3.8752 4.0201 4.0201 4.9376 4.9376 5.0752 5.0752 7.8597 7.8597 7.8988 7.8988 8.5470 8.5470 8.5870 8.5870 k = 0.4444 0.3849 0.3096 ( 14458 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -3.0300 -3.0300 -3.0253 -3.0253 -1.1255 -1.1255 -1.1176 -1.1176 -1.0176 -1.0176 -0.9685 -0.9685 -0.8057 -0.8057 -0.7965 -0.7965 -0.7256 -0.7256 -0.7128 -0.7128 -0.5551 -0.5551 -0.5094 -0.5094 0.9520 0.9520 0.9900 0.9900 3.7728 3.7728 3.9195 3.9195 4.9697 4.9697 5.1043 5.1043 7.8919 7.8919 7.9305 7.9305 8.6532 8.6532 8.6976 8.6976 k = 0.4375 0.3969 0.3096 ( 14462 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -3.0239 -3.0239 -3.0186 -3.0186 -1.1250 -1.1250 -1.1158 -1.1158 -1.0207 -1.0207 -0.9663 -0.9663 -0.8044 -0.8044 -0.7943 -0.7943 -0.7271 -0.7271 -0.7129 -0.7129 -0.5539 -0.5539 -0.5035 -0.5035 0.9565 0.9565 1.0000 1.0000 3.6699 3.6699 3.8186 3.8186 5.0002 5.0002 5.1311 5.1311 7.9168 7.9168 7.9544 7.9544 8.7783 8.7783 8.8263 8.8263 k = 0.4306 0.4090 0.3096 ( 14476 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -3.0173 -3.0173 -3.0114 -3.0114 -1.1245 -1.1245 -1.1139 -1.1139 -1.0237 -1.0237 -0.9644 -0.9644 -0.8029 -0.8029 -0.7919 -0.7919 -0.7286 -0.7286 -0.7132 -0.7132 -0.5523 -0.5523 -0.4973 -0.4973 0.9611 0.9611 1.0103 1.0103 3.5677 3.5677 3.7187 3.7187 5.0293 5.0293 5.1562 5.1562 7.9353 7.9353 7.9714 7.9714 8.9193 8.9193 8.9702 8.9702 k = 0.4236 0.4210 0.3096 ( 14488 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -3.0103 -3.0103 -3.0038 -3.0038 -1.1239 -1.1239 -1.1118 -1.1118 -1.0266 -1.0266 -0.9626 -0.9626 -0.8013 -0.8013 -0.7895 -0.7895 -0.7301 -0.7301 -0.7135 -0.7135 -0.5501 -0.5501 -0.4910 -0.4910 0.9658 0.9658 1.0208 1.0208 3.4671 3.4671 3.6209 3.6209 5.0569 5.0569 5.1798 5.1798 7.9481 7.9481 7.9830 7.9830 9.0729 9.0729 9.1262 9.1262 k = 0.4167 0.4330 0.3096 ( 14496 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -3.0029 -3.0029 -2.9960 -2.9960 -1.1234 -1.1234 -1.1097 -1.1097 -1.0293 -1.0293 -0.9610 -0.9610 -0.7996 -0.7996 -0.7869 -0.7869 -0.7317 -0.7317 -0.7139 -0.7139 -0.5473 -0.5473 -0.4845 -0.4845 0.9702 0.9702 1.0313 1.0313 3.3693 3.3693 3.5265 3.5265 5.0832 5.0832 5.2022 5.2022 7.9564 7.9564 7.9903 7.9903 9.2355 9.2355 9.2909 9.2909 k = 0.4097 0.4450 0.3096 ( 14488 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -2.9954 -2.9954 -2.9880 -2.9880 -1.1228 -1.1228 -1.1075 -1.1075 -1.0318 -1.0318 -0.9596 -0.9596 -0.7980 -0.7980 -0.7842 -0.7842 -0.7333 -0.7333 -0.7143 -0.7143 -0.5441 -0.5441 -0.4779 -0.4779 0.9741 0.9741 1.0415 1.0415 3.2754 3.2754 3.4362 3.4362 5.1083 5.1083 5.2236 5.2236 7.9610 7.9610 7.9940 7.9940 9.4028 9.4028 9.4601 9.4601 k = 0.4028 0.4571 0.3096 ( 14486 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -2.9878 -2.9878 -2.9800 -2.9800 -1.1222 -1.1222 -1.1053 -1.1053 -1.0341 -1.0341 -0.9584 -0.9584 -0.7964 -0.7964 -0.7814 -0.7814 -0.7348 -0.7348 -0.7148 -0.7148 -0.5405 -0.5405 -0.4713 -0.4713 0.9774 0.9774 1.0511 1.0511 3.1861 3.1861 3.3511 3.3511 5.1322 5.1322 5.2439 5.2439 7.9624 7.9624 7.9949 7.9949 9.5685 9.5685 9.6274 9.6274 k = 0.3958 0.4691 0.3096 ( 14490 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -2.9803 -2.9803 -2.9720 -2.9720 -1.1217 -1.1217 -1.1031 -1.1031 -1.0363 -1.0363 -0.9573 -0.9573 -0.7949 -0.7949 -0.7786 -0.7786 -0.7364 -0.7364 -0.7152 -0.7152 -0.5365 -0.5365 -0.4647 -0.4647 0.9799 0.9799 1.0599 1.0599 3.1026 3.1026 3.2720 3.2720 5.1548 5.1548 5.2632 5.2632 7.9612 7.9612 7.9933 7.9933 9.7213 9.7213 9.7813 9.7813 k = 0.3889 0.4811 0.3096 ( 14506 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -2.9729 -2.9729 -2.9642 -2.9642 -1.1212 -1.1212 -1.1009 -1.1009 -1.0381 -1.0381 -0.9564 -0.9564 -0.7935 -0.7935 -0.7757 -0.7757 -0.7379 -0.7379 -0.7156 -0.7156 -0.5321 -0.5321 -0.4582 -0.4582 0.9814 0.9814 1.0676 1.0676 3.0256 3.0256 3.1996 3.1996 5.1759 5.1759 5.2814 5.2814 7.9580 7.9580 7.9897 7.9897 9.8409 9.8409 9.9006 9.9006 k = 0.3819 0.4932 0.3096 ( 14504 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -2.9658 -2.9658 -2.9568 -2.9568 -1.1207 -1.1207 -1.0989 -1.0989 -1.0398 -1.0398 -0.9556 -0.9556 -0.7923 -0.7923 -0.7729 -0.7729 -0.7395 -0.7395 -0.7160 -0.7160 -0.5276 -0.5276 -0.4519 -0.4519 0.9819 0.9819 1.0739 1.0739 2.9561 2.9561 3.1346 3.1346 5.1956 5.1956 5.2984 5.2984 7.9530 7.9530 7.9845 7.9845 9.9073 9.9073 9.9651 9.9651 k = 0.3750 0.5052 0.3096 ( 14496 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -2.9592 -2.9592 -2.9499 -2.9499 -1.1203 -1.1203 -1.0971 -1.0971 -1.0411 -1.0411 -0.9549 -0.9549 -0.7912 -0.7912 -0.7703 -0.7703 -0.7409 -0.7409 -0.7164 -0.7164 -0.5230 -0.5230 -0.4459 -0.4459 0.9812 0.9812 1.0787 1.0787 2.8947 2.8947 3.0775 3.0775 5.2134 5.2134 5.3139 5.3139 7.9468 7.9468 7.9780 7.9780 9.9267 9.9267 9.9828 9.9828 k = 0.3681 0.5172 0.3096 ( 14492 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -2.9532 -2.9532 -2.9436 -2.9436 -1.1199 -1.1199 -1.0954 -1.0954 -1.0422 -1.0422 -0.9543 -0.9543 -0.7903 -0.7903 -0.7678 -0.7678 -0.7423 -0.7423 -0.7167 -0.7167 -0.5185 -0.5185 -0.4404 -0.4404 0.9795 0.9795 1.0820 1.0820 2.8421 2.8421 3.0289 3.0289 5.2292 5.2292 5.3278 5.3278 7.9400 7.9400 7.9709 7.9709 9.9221 9.9221 9.9772 9.9772 k = 0.3611 0.5292 0.3096 ( 14484 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -2.9480 -2.9480 -2.9382 -2.9382 -1.1197 -1.1197 -1.0940 -1.0940 -1.0430 -1.0430 -0.9538 -0.9538 -0.7895 -0.7895 -0.7655 -0.7655 -0.7436 -0.7436 -0.7169 -0.7169 -0.5143 -0.5143 -0.4355 -0.4355 0.9770 0.9770 1.0837 1.0837 2.7988 2.7988 2.9891 2.9891 5.2428 5.2428 5.3397 5.3397 7.9330 7.9330 7.9636 7.9636 9.9093 9.9093 9.9641 9.9641 k = 0.3542 0.5413 0.3096 ( 14492 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -2.9437 -2.9437 -2.9337 -2.9337 -1.1194 -1.1194 -1.0930 -1.0930 -1.0435 -1.0435 -0.9535 -0.9535 -0.7889 -0.7889 -0.7636 -0.7636 -0.7447 -0.7447 -0.7170 -0.7170 -0.5106 -0.5106 -0.4313 -0.4313 0.9741 0.9741 1.0841 1.0841 2.7652 2.7652 2.9582 2.9582 5.2539 5.2539 5.3495 5.3495 7.9265 7.9265 7.9567 7.9567 9.8959 9.8959 9.9506 9.9506 k = 0.3472 0.5533 0.3096 ( 14494 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -2.9404 -2.9404 -2.9302 -2.9302 -1.1193 -1.1193 -1.0922 -1.0922 -1.0438 -1.0438 -0.9532 -0.9532 -0.7885 -0.7885 -0.7622 -0.7622 -0.7455 -0.7455 -0.7172 -0.7172 -0.5077 -0.5077 -0.4281 -0.4281 0.9712 0.9712 1.0835 1.0835 2.7413 2.7413 2.9363 2.9363 5.2621 5.2621 5.3568 5.3568 7.9210 7.9210 7.9509 7.9509 9.8850 9.8850 9.9397 9.9397 k = 0.3403 0.5653 0.3096 ( 14486 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -2.9383 -2.9383 -2.9281 -2.9281 -1.1192 -1.1192 -1.0918 -1.0918 -1.0440 -1.0440 -0.9531 -0.9531 -0.7882 -0.7882 -0.7613 -0.7613 -0.7460 -0.7460 -0.7172 -0.7172 -0.5058 -0.5058 -0.4261 -0.4261 0.9690 0.9690 1.0827 1.0827 2.7272 2.7272 2.9234 2.9234 5.2672 5.2672 5.3614 5.3614 7.9173 7.9173 7.9469 7.9469 9.8781 9.8781 9.9329 9.9329 k = 0.3333 0.5774 0.3096 ( 14496 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -2.9376 -2.9376 -2.9273 -2.9273 -1.1191 -1.1191 -1.0916 -1.0916 -1.0440 -1.0440 -0.9530 -0.9530 -0.7882 -0.7882 -0.7610 -0.7610 -0.7462 -0.7462 -0.7172 -0.7172 -0.5051 -0.5051 -0.4253 -0.4253 0.9681 0.9681 1.0822 1.0822 2.7226 2.7226 2.9191 2.9191 5.2689 5.2689 5.3629 5.3629 7.9159 7.9159 7.9454 7.9454 9.8758 9.8758 9.9306 9.9306 k = 0.3333 0.5774 0.3096 ( 14496 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -2.9376 -2.9376 -2.9273 -2.9273 -1.1191 -1.1191 -1.0916 -1.0916 -1.0440 -1.0440 -0.9530 -0.9530 -0.7882 -0.7882 -0.7610 -0.7610 -0.7462 -0.7462 -0.7172 -0.7172 -0.5051 -0.5051 -0.4253 -0.4253 0.9681 0.9681 1.0822 1.0822 2.7226 2.7226 2.9191 2.9191 5.2689 5.2689 5.3629 5.3629 7.9159 7.9159 7.9454 7.9454 9.8758 9.8758 9.9306 9.9306 k = 0.3264 0.5653 0.3096 ( 14488 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -2.9384 -2.9384 -2.9281 -2.9281 -1.1192 -1.1192 -1.0918 -1.0918 -1.0440 -1.0440 -0.9531 -0.9531 -0.7882 -0.7882 -0.7613 -0.7613 -0.7461 -0.7461 -0.7172 -0.7172 -0.5058 -0.5058 -0.4261 -0.4261 0.9693 0.9693 1.0830 1.0830 2.7271 2.7271 2.9233 2.9233 5.2671 5.2671 5.3613 5.3613 7.9175 7.9175 7.9471 7.9471 9.8781 9.8781 9.9328 9.9328 k = 0.3194 0.5533 0.3096 ( 14506 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -2.9407 -2.9407 -2.9306 -2.9306 -1.1193 -1.1193 -1.0921 -1.0921 -1.0440 -1.0440 -0.9533 -0.9533 -0.7885 -0.7885 -0.7620 -0.7620 -0.7457 -0.7457 -0.7172 -0.7172 -0.5082 -0.5082 -0.4285 -0.4285 0.9733 0.9733 1.0858 1.0858 2.7402 2.7402 2.9354 2.9354 5.2616 5.2616 5.3563 5.3563 7.9225 7.9225 7.9526 7.9526 9.8847 9.8847 9.9394 9.9394 k = 0.3125 0.5413 0.3096 ( 14508 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -2.9449 -2.9449 -2.9348 -2.9348 -1.1194 -1.1194 -1.0927 -1.0927 -1.0442 -1.0442 -0.9536 -0.9536 -0.7889 -0.7889 -0.7631 -0.7631 -0.7453 -0.7453 -0.7171 -0.7171 -0.5124 -0.5124 -0.4327 -0.4327 0.9809 0.9809 1.0917 1.0917 2.7613 2.7613 2.9550 2.9550 5.2523 5.2523 5.3478 5.3478 7.9315 7.9315 7.9624 7.9624 9.8953 9.8953 9.9498 9.9498 k = 0.3056 0.5292 0.3096 ( 14508 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -2.9508 -2.9508 -2.9410 -2.9410 -1.1196 -1.1196 -1.0935 -1.0935 -1.0446 -1.0446 -0.9542 -0.9542 -0.7895 -0.7895 -0.7644 -0.7644 -0.7449 -0.7449 -0.7171 -0.7171 -0.5183 -0.5183 -0.4387 -0.4387 0.9928 0.9928 1.1014 1.1014 2.7898 2.7898 2.9817 2.9817 5.2392 5.2392 5.3358 5.3358 7.9449 7.9449 7.9770 7.9770 9.9093 9.9093 9.9634 9.9634 k = 0.2986 0.5172 0.3096 ( 14500 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -2.9587 -2.9587 -2.9491 -2.9491 -1.1198 -1.1198 -1.0944 -1.0944 -1.0453 -1.0453 -0.9550 -0.9550 -0.7902 -0.7902 -0.7659 -0.7659 -0.7447 -0.7447 -0.7171 -0.7171 -0.5260 -0.5260 -0.4464 -0.4464 1.0094 1.0094 1.1156 1.1156 2.8251 2.8251 3.0151 3.0151 5.2223 5.2223 5.3203 5.3203 7.9629 7.9629 7.9965 7.9965 9.9259 9.9259 9.9794 9.9794 k = 0.2917 0.5052 0.3096 ( 14508 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -2.9685 -2.9685 -2.9592 -2.9592 -1.1201 -1.1201 -1.0954 -1.0954 -1.0462 -1.0462 -0.9560 -0.9560 -0.7911 -0.7911 -0.7675 -0.7675 -0.7445 -0.7445 -0.7171 -0.7171 -0.5352 -0.5352 -0.4559 -0.4559 1.0313 1.0313 1.1348 1.1348 2.8667 2.8667 3.0545 3.0545 5.2019 5.2019 5.3014 5.3014 7.9857 7.9857 8.0213 8.0213 9.9444 9.9444 9.9968 9.9968 k = 0.2847 0.4932 0.3096 ( 14516 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -2.9804 -2.9804 -2.9714 -2.9714 -1.1204 -1.1204 -1.0966 -1.0966 -1.0475 -1.0475 -0.9574 -0.9574 -0.7922 -0.7922 -0.7693 -0.7693 -0.7445 -0.7445 -0.7171 -0.7171 -0.5457 -0.5457 -0.4668 -0.4668 1.0588 1.0588 1.1594 1.1594 2.9139 2.9139 3.0996 3.0996 5.1781 5.1781 5.2794 5.2794 8.0133 8.0133 8.0511 8.0511 9.9635 9.9635 10.0143 10.0143 k = 0.2778 0.4811 0.3096 ( 14510 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -2.9943 -2.9943 -2.9856 -2.9856 -1.1208 -1.1208 -1.0978 -1.0978 -1.0491 -1.0491 -0.9591 -0.9591 -0.7935 -0.7935 -0.7711 -0.7711 -0.7446 -0.7446 -0.7172 -0.7172 -0.5573 -0.5573 -0.4791 -0.4791 1.0919 1.0919 1.1897 1.1897 2.9664 2.9664 3.1499 3.1499 5.1512 5.1512 5.2544 5.2544 8.0457 8.0457 8.0861 8.0861 9.9820 9.9820 10.0301 10.0301 k = 0.2708 0.4691 0.3096 ( 14502 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -3.0103 -3.0103 -3.0020 -3.0020 -1.1211 -1.1211 -1.0992 -1.0992 -1.0510 -1.0510 -0.9613 -0.9613 -0.7949 -0.7949 -0.7731 -0.7731 -0.7450 -0.7450 -0.7173 -0.7173 -0.5696 -0.5696 -0.4924 -0.4924 1.1309 1.1309 1.2257 1.2257 3.0235 3.0235 3.2051 3.2051 5.1217 5.1217 5.2269 5.2269 8.0828 8.0828 8.1260 8.1260 9.9981 9.9981 10.0420 10.0420 k = 0.2639 0.4571 0.3096 ( 14506 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -3.0283 -3.0283 -3.0204 -3.0204 -1.1215 -1.1215 -1.1006 -1.1006 -1.0533 -1.0533 -0.9639 -0.9639 -0.7964 -0.7964 -0.7752 -0.7752 -0.7454 -0.7454 -0.7175 -0.7175 -0.5823 -0.5823 -0.5065 -0.5065 1.1755 1.1755 1.2676 1.2676 3.0849 3.0849 3.2647 3.2647 5.0897 5.0897 5.1972 5.1972 8.1243 8.1243 8.1703 8.1703 10.0098 10.0098 10.0473 10.0473 k = 0.2569 0.4450 0.3096 ( 14502 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -3.0484 -3.0484 -3.0408 -3.0408 -1.1219 -1.1219 -1.1022 -1.1022 -1.0559 -1.0559 -0.9670 -0.9670 -0.7982 -0.7982 -0.7773 -0.7773 -0.7460 -0.7460 -0.7177 -0.7177 -0.5950 -0.5950 -0.5209 -0.5209 1.2257 1.2257 1.3151 1.3151 3.1501 3.1501 3.3285 3.3285 5.0559 5.0559 5.1657 5.1657 8.1697 8.1697 8.2189 8.2189 10.0147 10.0147 10.0435 10.0435 k = 0.2500 0.4330 0.3096 ( 14506 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -3.0703 -3.0703 -3.0631 -3.0631 -1.1223 -1.1223 -1.1038 -1.1038 -1.0588 -1.0588 -0.9706 -0.9706 -0.8001 -0.8001 -0.7796 -0.7796 -0.7467 -0.7467 -0.7180 -0.7180 -0.6074 -0.6074 -0.5355 -0.5355 1.2813 1.2813 1.3681 1.3681 3.2189 3.2189 3.3960 3.3960 5.0206 5.0206 5.1328 5.1328 8.2185 8.2185 8.2711 8.2711 10.0108 10.0108 10.0289 10.0289 k = 0.2431 0.4210 0.3096 ( 14498 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -3.0940 -3.0940 -3.0873 -3.0873 -1.1227 -1.1227 -1.1055 -1.1055 -1.0619 -1.0619 -0.9747 -0.9747 -0.8021 -0.8021 -0.7821 -0.7821 -0.7474 -0.7474 -0.7183 -0.7183 -0.6194 -0.6194 -0.5500 -0.5500 1.3420 1.3420 1.4265 1.4265 3.2908 3.2908 3.4670 3.4670 4.9842 4.9842 5.0991 5.0991 8.2701 8.2701 8.3263 8.3263 9.9959 9.9959 10.0045 10.0045 k = 0.2361 0.4090 0.3096 ( 14504 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -3.1195 -3.1195 -3.1131 -3.1131 -1.1231 -1.1231 -1.1073 -1.1073 -1.0653 -1.0653 -0.9792 -0.9792 -0.8043 -0.8043 -0.7846 -0.7846 -0.7482 -0.7482 -0.7187 -0.7187 -0.6306 -0.6306 -0.5640 -0.5640 1.4075 1.4075 1.4899 1.4899 3.3655 3.3655 3.5412 3.5412 4.9473 4.9473 5.0649 5.0649 8.3238 8.3238 8.3838 8.3838 9.9658 9.9658 9.9767 9.9767 k = 0.2292 0.3969 0.3096 ( 14500 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -3.1465 -3.1465 -3.1405 -3.1405 -1.1236 -1.1236 -1.1092 -1.1092 -1.0689 -1.0689 -0.9841 -0.9841 -0.8066 -0.8066 -0.7873 -0.7873 -0.7491 -0.7491 -0.7192 -0.7192 -0.6411 -0.6411 -0.5775 -0.5775 1.4776 1.4776 1.5580 1.5580 3.4427 3.4427 3.6182 3.6182 4.9104 4.9104 5.0309 5.0309 8.3786 8.3786 8.4428 8.4428 9.9258 9.9258 9.9452 9.9452 k = 0.2222 0.3849 0.3096 ( 14504 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -3.1749 -3.1749 -3.1693 -3.1693 -1.1241 -1.1241 -1.1111 -1.1111 -1.0727 -1.0727 -0.9894 -0.9894 -0.8089 -0.8089 -0.7902 -0.7902 -0.7499 -0.7499 -0.7197 -0.7197 -0.6506 -0.6506 -0.5902 -0.5902 1.5519 1.5519 1.6306 1.6306 3.5219 3.5219 3.6978 3.6978 4.8740 4.8740 4.9976 4.9976 8.4334 8.4334 8.5021 8.5021 9.8824 9.8824 9.9090 9.9090 k = 0.2153 0.3729 0.3096 ( 14496 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -3.2046 -3.2046 -3.1994 -3.1994 -1.1246 -1.1246 -1.1131 -1.1131 -1.0766 -1.0766 -0.9949 -0.9949 -0.8113 -0.8113 -0.7932 -0.7932 -0.7506 -0.7506 -0.7203 -0.7203 -0.6593 -0.6593 -0.6021 -0.6021 1.6300 1.6300 1.7074 1.7074 3.6028 3.6028 3.7797 3.7797 4.8385 4.8385 4.9654 4.9654 8.4870 8.4870 8.5606 8.5606 9.8389 9.8389 9.8708 9.8708 k = 0.2083 0.3608 0.3096 ( 14484 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -3.2354 -3.2354 -3.2305 -3.2305 -1.1252 -1.1252 -1.1152 -1.1152 -1.0805 -1.0805 -1.0005 -1.0005 -0.8137 -0.8137 -0.7963 -0.7963 -0.7513 -0.7513 -0.7209 -0.7209 -0.6670 -0.6670 -0.6130 -0.6130 1.7116 1.7116 1.7879 1.7879 3.6850 3.6850 3.8634 3.8634 4.8048 4.8048 4.9351 4.9351 8.5379 8.5379 8.6168 8.6168 9.7974 9.7974 9.8332 9.8332 k = 0.2014 0.3488 0.3096 ( 14484 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -3.2671 -3.2671 -3.2625 -3.2625 -1.1259 -1.1259 -1.1172 -1.1172 -1.0845 -1.0845 -1.0061 -1.0061 -0.8161 -0.8161 -0.7996 -0.7996 -0.7519 -0.7519 -0.7216 -0.7216 -0.6739 -0.6739 -0.6230 -0.6230 1.7963 1.7963 1.8718 1.8718 3.7678 3.7678 3.9485 3.9485 4.7734 4.7734 4.9074 4.9074 8.5843 8.5843 8.6689 8.6689 9.7595 9.7595 9.7983 9.7983 k = 0.1944 0.3368 0.3096 ( 14482 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -3.2995 -3.2995 -3.2952 -3.2952 -1.1267 -1.1267 -1.1192 -1.1192 -1.0884 -1.0884 -1.0117 -1.0117 -0.8185 -0.8185 -0.8029 -0.8029 -0.7524 -0.7524 -0.7224 -0.7224 -0.6800 -0.6800 -0.6321 -0.6321 1.8836 1.8836 1.9588 1.9588 3.8507 3.8507 4.0346 4.0346 4.7453 4.7453 4.8830 4.8830 8.6247 8.6247 8.7152 8.7152 9.7261 9.7261 9.7679 9.7679 k = 0.1875 0.3248 0.3096 ( 14498 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -3.3324 -3.3324 -3.3285 -3.3285 -1.1278 -1.1278 -1.1210 -1.1210 -1.0922 -1.0922 -1.0172 -1.0172 -0.8208 -0.8208 -0.8063 -0.8063 -0.7528 -0.7528 -0.7232 -0.7232 -0.6853 -0.6853 -0.6403 -0.6403 1.9730 1.9730 2.0484 2.0484 3.9328 3.9328 4.1209 4.1209 4.7215 4.7215 4.8630 4.8630 8.6574 8.6574 8.7538 8.7538 9.6973 9.6973 9.7426 9.7426 k = 0.1806 0.3127 0.3096 ( 14486 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -3.3657 -3.3657 -3.3620 -3.3620 -1.1292 -1.1292 -1.1228 -1.1228 -1.0959 -1.0959 -1.0225 -1.0225 -0.8232 -0.8232 -0.8098 -0.8098 -0.7530 -0.7530 -0.7240 -0.7240 -0.6900 -0.6900 -0.6476 -0.6476 2.0641 2.0641 2.1400 2.1400 4.0130 4.0130 4.2064 4.2064 4.7037 4.7037 4.8485 4.8485 8.6812 8.6812 8.7831 8.7831 9.6723 9.6723 9.7222 9.7222 k = 0.1736 0.3007 0.3096 ( 14498 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -3.3992 -3.3992 -3.3958 -3.3958 -1.1308 -1.1308 -1.1244 -1.1244 -1.0993 -1.0993 -1.0275 -1.0275 -0.8255 -0.8255 -0.8132 -0.8132 -0.7532 -0.7532 -0.7249 -0.7249 -0.6940 -0.6940 -0.6543 -0.6543 2.1562 2.1562 2.2332 2.2332 4.0899 4.0899 4.2893 4.2893 4.6939 4.6939 4.8410 4.8410 8.6956 8.6956 8.8022 8.8022 9.6496 9.6496 9.7047 9.7047 k = 0.1667 0.2887 0.3096 ( 14494 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -3.4327 -3.4327 -3.4294 -3.4294 -1.1327 -1.1327 -1.1260 -1.1260 -1.1023 -1.1023 -1.0323 -1.0323 -0.8279 -0.8279 -0.8166 -0.8166 -0.7532 -0.7532 -0.7258 -0.7258 -0.6975 -0.6975 -0.6603 -0.6603 2.2488 2.2488 2.3272 2.3272 4.1618 4.1618 4.3671 4.3671 4.6955 4.6955 4.8425 4.8425 8.7007 8.7007 8.8111 8.8111 9.6271 9.6271 9.6875 9.6875 k = 0.1597 0.2766 0.3096 ( 14494 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -3.4660 -3.4660 -3.4629 -3.4629 -1.1347 -1.1347 -1.1277 -1.1277 -1.1049 -1.1049 -1.0368 -1.0368 -0.8303 -0.8303 -0.8199 -0.8199 -0.7531 -0.7531 -0.7267 -0.7267 -0.7004 -0.7004 -0.6657 -0.6657 2.3410 2.3410 2.4214 2.4214 4.2268 4.2268 4.4359 4.4359 4.7129 4.7129 4.8550 4.8550 8.6974 8.6974 8.8105 8.8105 9.6030 9.6030 9.6678 9.6678 k = 0.1528 0.2646 0.3096 ( 14494 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -3.4989 -3.4989 -3.4961 -3.4961 -1.1367 -1.1367 -1.1297 -1.1297 -1.1070 -1.1070 -1.0410 -1.0410 -0.8327 -0.8327 -0.8230 -0.8230 -0.7529 -0.7529 -0.7275 -0.7275 -0.7030 -0.7030 -0.6706 -0.6706 2.4322 2.4322 2.5149 2.5149 4.2834 4.2834 4.4923 4.4923 4.7500 4.7500 4.8807 4.8807 8.6870 8.6870 8.8019 8.8019 9.5761 9.5761 9.6440 9.6440 k = 0.1458 0.2526 0.3096 ( 14510 PWs) bands (ev): -40.5981 -40.5981 -40.5981 -40.5981 -3.5314 -3.5314 -3.5287 -3.5287 -1.1388 -1.1388 -1.1318 -1.1318 -1.1086 -1.1086 -1.0449 -1.0449 -0.8351 -0.8351 -0.8260 -0.8260 -0.7525 -0.7525 -0.7283 -0.7283 -0.7052 -0.7052 -0.6750 -0.6750 2.5215 2.5215 2.6066 2.6066 4.3317 4.3317 4.5369 4.5369 4.8058 4.8058 4.9207 4.9207 8.6710 8.6710 8.7868 8.7868 9.5463 9.5463 9.6161 9.6161 k = 0.1389 0.2406 0.3096 ( 14494 PWs) bands (ev): -40.5981 -40.5981 -40.5981 -40.5981 -3.5632 -3.5632 -3.5607 -3.5607 -1.1409 -1.1409 -1.1342 -1.1342 -1.1097 -1.1097 -1.0486 -1.0486 -0.8375 -0.8375 -0.8287 -0.8287 -0.7521 -0.7521 -0.7291 -0.7291 -0.7071 -0.7071 -0.6791 -0.6791 2.6079 2.6079 2.6956 2.6956 4.3737 4.3737 4.5749 4.5749 4.8750 4.8750 4.9747 4.9747 8.6509 8.6509 8.7669 8.7669 9.5143 9.5143 9.5849 9.5849 k = 0.1319 0.2285 0.3096 ( 14494 PWs) bands (ev): -40.5981 -40.5981 -40.5981 -40.5981 -3.5943 -3.5943 -3.5919 -3.5919 -1.1429 -1.1429 -1.1366 -1.1366 -1.1103 -1.1103 -1.0520 -1.0520 -0.8400 -0.8400 -0.8313 -0.8313 -0.7516 -0.7516 -0.7297 -0.7297 -0.7087 -0.7087 -0.6829 -0.6829 2.6905 2.6905 2.7807 2.7807 4.4128 4.4128 4.6118 4.6118 4.9519 4.9519 5.0405 5.0405 8.6277 8.6277 8.7435 8.7435 9.4808 9.4808 9.5516 9.5516 k = 0.1250 0.2165 0.3096 ( 14498 PWs) bands (ev): -40.5981 -40.5981 -40.5981 -40.5981 -3.6244 -3.6244 -3.6222 -3.6222 -1.1448 -1.1448 -1.1392 -1.1392 -1.1107 -1.1107 -1.0552 -1.0552 -0.8424 -0.8424 -0.8337 -0.8337 -0.7510 -0.7510 -0.7303 -0.7303 -0.7101 -0.7101 -0.6863 -0.6863 2.7685 2.7685 2.8605 2.8605 4.4530 4.4530 4.6514 4.6514 5.0328 5.0328 5.1151 5.1151 8.6024 8.6024 8.7176 8.7176 9.4469 9.4469 9.5174 9.5174 k = 0.1181 0.2045 0.3096 ( 14510 PWs) bands (ev): -40.5981 -40.5981 -40.5981 -40.5981 -3.6536 -3.6536 -3.6515 -3.6515 -1.1467 -1.1467 -1.1417 -1.1417 -1.1107 -1.1107 -1.0582 -1.0582 -0.8447 -0.8447 -0.8360 -0.8360 -0.7503 -0.7503 -0.7307 -0.7307 -0.7114 -0.7114 -0.6896 -0.6896 2.8408 2.8408 2.9339 2.9339 4.4978 4.4978 4.6964 4.6964 5.1160 5.1160 5.1951 5.1951 8.5757 8.5757 8.6900 8.6900 9.4134 9.4134 9.4834 9.4834 k = 0.1111 0.1925 0.3096 ( 14514 PWs) bands (ev): -40.5981 -40.5981 -40.5981 -40.5981 -3.6816 -3.6816 -3.6796 -3.6796 -1.1485 -1.1485 -1.1441 -1.1441 -1.1106 -1.1106 -1.0611 -1.0611 -0.8469 -0.8469 -0.8381 -0.8381 -0.7495 -0.7495 -0.7310 -0.7310 -0.7125 -0.7125 -0.6927 -0.6927 2.9069 2.9069 2.9999 2.9999 4.5498 4.5498 4.7484 4.7484 5.2003 5.2003 5.2780 5.2780 8.5480 8.5480 8.6610 8.6610 9.3810 9.3810 9.4503 9.4503 k = 0.1042 0.1804 0.3096 ( 14522 PWs) bands (ev): -40.5981 -40.5981 -40.5981 -40.5981 -3.7083 -3.7083 -3.7065 -3.7065 -1.1502 -1.1502 -1.1465 -1.1465 -1.1103 -1.1103 -1.0637 -1.0637 -0.8489 -0.8489 -0.8401 -0.8401 -0.7487 -0.7487 -0.7313 -0.7313 -0.7135 -0.7135 -0.6955 -0.6955 2.9662 2.9662 3.0578 3.0578 4.6105 4.6105 4.8085 4.8085 5.2849 5.2849 5.3617 5.3617 8.5193 8.5193 8.6309 8.6309 9.3504 9.3504 9.4188 9.4188 k = 0.0972 0.1684 0.3096 ( 14518 PWs) bands (ev): -40.5981 -40.5981 -40.5981 -40.5981 -3.7337 -3.7337 -3.7320 -3.7320 -1.1518 -1.1518 -1.1487 -1.1487 -1.1098 -1.1098 -1.0663 -1.0663 -0.8509 -0.8509 -0.8421 -0.8421 -0.7478 -0.7478 -0.7314 -0.7314 -0.7145 -0.7145 -0.6983 -0.6983 3.0186 3.0186 3.1072 3.1072 4.6809 4.6809 4.8770 4.8770 5.3691 5.3691 5.4449 5.4449 8.4896 8.4896 8.5993 8.5993 9.3221 9.3221 9.3893 9.3893 k = 0.0903 0.1564 0.3096 ( 14534 PWs) bands (ev): -40.5981 -40.5981 -40.5981 -40.5981 -3.7578 -3.7578 -3.7562 -3.7562 -1.1533 -1.1533 -1.1507 -1.1507 -1.1091 -1.1091 -1.0687 -1.0687 -0.8526 -0.8526 -0.8439 -0.8439 -0.7468 -0.7468 -0.7314 -0.7314 -0.7153 -0.7153 -0.7009 -0.7009 3.0639 3.0639 3.1484 3.1484 4.7608 4.7608 4.9538 4.9538 5.4520 5.4520 5.5266 5.5266 8.4585 8.4585 8.5661 8.5661 9.2964 9.2964 9.3623 9.3623 k = 0.0833 0.1443 0.3096 ( 14552 PWs) bands (ev): -40.5981 -40.5981 -40.5981 -40.5981 -3.7803 -3.7803 -3.7788 -3.7788 -1.1547 -1.1547 -1.1526 -1.1526 -1.1084 -1.1084 -1.0710 -1.0710 -0.8542 -0.8542 -0.8457 -0.8457 -0.7458 -0.7458 -0.7313 -0.7313 -0.7161 -0.7161 -0.7034 -0.7034 3.1026 3.1026 3.1819 3.1819 4.8497 4.8497 5.0383 5.0383 5.5332 5.5332 5.6060 5.6060 8.4252 8.4252 8.5304 8.5304 9.2738 9.2738 9.3380 9.3380 k = 0.0764 0.1323 0.3096 ( 14552 PWs) bands (ev): -40.5981 -40.5981 -40.5981 -40.5981 -3.8012 -3.8012 -3.7999 -3.7999 -1.1560 -1.1560 -1.1544 -1.1544 -1.1075 -1.1075 -1.0732 -1.0732 -0.8556 -0.8556 -0.8474 -0.8474 -0.7447 -0.7447 -0.7312 -0.7312 -0.7169 -0.7169 -0.7057 -0.7057 3.1351 3.1351 3.2083 3.2083 4.9463 4.9463 5.1294 5.1294 5.6121 5.6121 5.6824 5.6824 8.3888 8.3888 8.4913 8.4913 9.2546 9.2546 9.3166 9.3166 k = 0.0694 0.1203 0.3096 ( 14562 PWs) bands (ev): -40.5981 -40.5981 -40.5981 -40.5981 -3.8205 -3.8205 -3.8193 -3.8193 -1.1572 -1.1572 -1.1560 -1.1560 -1.1066 -1.1066 -1.0754 -1.0754 -0.8568 -0.8568 -0.8490 -0.8490 -0.7435 -0.7435 -0.7310 -0.7310 -0.7176 -0.7176 -0.7080 -0.7080 3.1622 3.1622 3.2287 3.2287 5.0489 5.0489 5.2254 5.2254 5.6885 5.6885 5.7555 5.7555 8.3482 8.3482 8.4478 8.4478 9.2388 9.2388 9.2983 9.2983 k = 0.0625 0.1083 0.3096 ( 14554 PWs) bands (ev): -40.5981 -40.5981 -40.5981 -40.5981 -3.8382 -3.8382 -3.8370 -3.8370 -1.1583 -1.1583 -1.1574 -1.1574 -1.1056 -1.1056 -1.0774 -1.0774 -0.8578 -0.8578 -0.8505 -0.8505 -0.7423 -0.7423 -0.7307 -0.7307 -0.7183 -0.7183 -0.7102 -0.7102 3.1844 3.1844 3.2439 3.2439 5.1556 5.1556 5.3244 5.3244 5.7623 5.7623 5.8250 5.8250 8.3021 8.3021 8.3985 8.3985 9.2268 9.2268 9.2830 9.2830 k = 0.0556 0.0962 0.3096 ( 14564 PWs) bands (ev): -40.5981 -40.5981 -40.5981 -40.5981 -3.8541 -3.8541 -3.8531 -3.8531 -1.1592 -1.1592 -1.1586 -1.1586 -1.1045 -1.1045 -1.0794 -1.0794 -0.8587 -0.8587 -0.8519 -0.8519 -0.7411 -0.7411 -0.7303 -0.7303 -0.7190 -0.7190 -0.7123 -0.7123 3.2026 3.2026 3.2550 3.2550 5.2642 5.2642 5.4237 5.4237 5.8335 5.8335 5.8909 5.8909 8.2497 8.2497 8.3425 8.3425 9.2183 9.2183 9.2707 9.2707 k = 0.0486 0.0842 0.3096 ( 14570 PWs) bands (ev): -40.5981 -40.5981 -40.5981 -40.5981 -3.8682 -3.8682 -3.8673 -3.8673 -1.1601 -1.1601 -1.1597 -1.1597 -1.1033 -1.1033 -1.0813 -1.0813 -0.8594 -0.8594 -0.8533 -0.8533 -0.7398 -0.7398 -0.7300 -0.7300 -0.7196 -0.7196 -0.7143 -0.7143 3.2173 3.2173 3.2627 3.2627 5.3718 5.3718 5.5200 5.5200 5.9027 5.9027 5.9533 5.9533 8.1906 8.1906 8.2792 8.2792 9.2133 9.2133 9.2612 9.2612 k = 0.0417 0.0722 0.3096 ( 14568 PWs) bands (ev): -40.5981 -40.5981 -40.5981 -40.5981 -3.8805 -3.8805 -3.8797 -3.8797 -1.1609 -1.1609 -1.1606 -1.1606 -1.1020 -1.1020 -1.0832 -1.0832 -0.8599 -0.8599 -0.8545 -0.8545 -0.7385 -0.7385 -0.7296 -0.7296 -0.7202 -0.7202 -0.7162 -0.7162 3.2293 3.2293 3.2678 3.2678 5.4755 5.4755 5.6096 5.6096 5.9704 5.9704 6.0125 6.0125 8.1256 8.1256 8.2090 8.2090 9.2113 9.2113 9.2540 9.2540 k = 0.0347 0.0601 0.3096 ( 14588 PWs) bands (ev): -40.5981 -40.5981 -40.5981 -40.5981 -3.8910 -3.8910 -3.8903 -3.8903 -1.1616 -1.1616 -1.1614 -1.1614 -1.1007 -1.1007 -1.0850 -1.0850 -0.8602 -0.8602 -0.8556 -0.8556 -0.7371 -0.7371 -0.7293 -0.7293 -0.7208 -0.7208 -0.7180 -0.7180 3.2390 3.2390 3.2707 3.2707 5.5718 5.5718 5.6881 5.6881 6.0369 6.0369 6.0688 6.0688 8.0574 8.0574 8.1339 8.1339 9.2117 9.2117 9.2484 9.2484 k = 0.0278 0.0481 0.3096 ( 14584 PWs) bands (ev): -40.5981 -40.5981 -40.5981 -40.5981 -3.8995 -3.8995 -3.8990 -3.8990 -1.1621 -1.1621 -1.1620 -1.1620 -1.0994 -1.0994 -1.0868 -1.0868 -0.8604 -0.8604 -0.8567 -0.8567 -0.7357 -0.7357 -0.7290 -0.7290 -0.7214 -0.7214 -0.7196 -0.7196 3.2468 3.2468 3.2720 3.2720 5.6570 5.6570 5.7521 5.7521 6.1012 6.1012 6.1220 6.1220 7.9902 7.9902 8.0573 8.0573 9.2138 9.2138 9.2433 9.2433 k = 0.0208 0.0361 0.3096 ( 14576 PWs) bands (ev): -40.5981 -40.5981 -40.5981 -40.5981 -3.9062 -3.9062 -3.9058 -3.9058 -1.1626 -1.1626 -1.1625 -1.1625 -1.0980 -1.0980 -1.0885 -1.0885 -0.8604 -0.8604 -0.8576 -0.8576 -0.7343 -0.7343 -0.7289 -0.7289 -0.7219 -0.7219 -0.7210 -0.7210 3.2533 3.2533 3.2720 3.2720 5.7280 5.7280 5.7995 5.7995 6.1601 6.1601 6.1708 6.1708 7.9297 7.9297 7.9845 7.9845 9.2161 9.2161 9.2364 9.2364 k = 0.0139 0.0241 0.3096 ( 14584 PWs) bands (ev): -40.5981 -40.5981 -40.5981 -40.5981 -3.9110 -3.9110 -3.9107 -3.9107 -1.1629 -1.1629 -1.1629 -1.1629 -1.0965 -1.0965 -1.0902 -1.0902 -0.8603 -0.8603 -0.8584 -0.8584 -0.7330 -0.7330 -0.7291 -0.7291 -0.7224 -0.7224 -0.7221 -0.7221 3.2585 3.2585 3.2709 3.2709 5.7825 5.7825 5.8298 5.8298 6.2082 6.2082 6.2118 6.2118 7.8827 7.8827 7.9219 7.9219 9.2170 9.2170 9.2259 9.2259 k = 0.0069 0.0120 0.3096 ( 14584 PWs) bands (ev): -40.5981 -40.5981 -40.5981 -40.5981 -3.9138 -3.9138 -3.9137 -3.9137 -1.1631 -1.1631 -1.1631 -1.1631 -1.0950 -1.0950 -1.0919 -1.0919 -0.8600 -0.8600 -0.8591 -0.8591 -0.7317 -0.7317 -0.7296 -0.7296 -0.7227 -0.7227 -0.7227 -0.7227 3.2628 3.2628 3.2690 3.2690 5.8197 5.8197 5.8431 5.8431 6.2397 6.2397 6.2402 6.2402 7.8556 7.8556 7.8763 7.8763 9.2148 9.2148 9.2163 9.2163 k = 0.0000 0.0000 0.3096 ( 14588 PWs) bands (ev): -40.5981 -40.5981 -40.5981 -40.5981 -3.9147 -3.9147 -3.9147 -3.9147 -1.1631 -1.1631 -1.1631 -1.1631 -1.0935 -1.0935 -1.0935 -1.0935 -0.8596 -0.8596 -0.8596 -0.8596 -0.7305 -0.7305 -0.7305 -0.7305 -0.7229 -0.7229 -0.7229 -0.7229 3.2663 3.2663 3.2663 3.2663 5.8398 5.8398 5.8398 5.8398 6.2505 6.2505 6.2505 6.2505 7.8532 7.8532 7.8532 7.8532 9.2129 9.2129 9.2129 9.2129 k = 0.5000 0.2887 0.3096 ( 14468 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -3.0539 -3.0539 -3.0539 -3.0539 -1.1262 -1.1262 -1.1262 -1.1262 -0.9911 -0.9911 -0.9911 -0.9911 -0.8083 -0.8083 -0.8083 -0.8083 -0.7158 -0.7158 -0.7158 -0.7158 -0.5456 -0.5456 -0.5456 -0.5456 0.9398 0.9398 0.9398 0.9398 4.4410 4.4410 4.4410 4.4410 4.7977 4.7977 4.7977 4.7977 7.6419 7.6419 7.6419 7.6419 8.2892 8.2892 8.2892 8.2892 k = 0.5000 0.2887 0.2955 ( 14472 PWs) bands (ev): -40.5980 -40.5980 -40.5979 -40.5979 -3.0717 -3.0717 -3.0363 -3.0363 -1.1281 -1.1281 -1.1242 -1.1242 -0.9951 -0.9951 -0.9870 -0.9870 -0.8099 -0.8099 -0.8066 -0.8066 -0.7173 -0.7173 -0.7144 -0.7144 -0.5515 -0.5515 -0.5397 -0.5397 0.9146 0.9146 0.9681 0.9681 4.3825 4.3825 4.4935 4.4935 4.7104 4.7104 4.8845 4.8845 7.5959 7.5959 7.6688 7.6688 8.2865 8.2865 8.3266 8.3266 k = 0.5000 0.2887 0.2814 ( 14480 PWs) bands (ev): -40.5980 -40.5980 -40.5979 -40.5979 -3.0895 -3.0895 -3.0189 -3.0189 -1.1299 -1.1299 -1.1221 -1.1221 -0.9991 -0.9991 -0.9830 -0.9830 -0.8113 -0.8113 -0.8047 -0.8047 -0.7188 -0.7188 -0.7129 -0.7129 -0.5572 -0.5572 -0.5336 -0.5336 0.8928 0.8928 0.9994 0.9994 4.3205 4.3205 4.5207 4.5207 4.6455 4.6455 4.9649 4.9649 7.5393 7.5393 7.6740 7.6740 8.3117 8.3117 8.3991 8.3991 k = 0.5000 0.2887 0.2673 ( 14476 PWs) bands (ev): -40.5981 -40.5981 -40.5979 -40.5979 -3.1074 -3.1074 -3.0019 -3.0019 -1.1316 -1.1316 -1.1199 -1.1199 -1.0031 -1.0031 -0.9789 -0.9789 -0.8126 -0.8126 -0.8028 -0.8028 -0.7202 -0.7202 -0.7116 -0.7116 -0.5627 -0.5627 -0.5276 -0.5276 0.8746 0.8746 1.0334 1.0334 4.2538 4.2538 4.4733 4.4733 4.6562 4.6562 5.0357 5.0357 7.4816 7.4816 7.6618 7.6618 8.3571 8.3571 8.5013 8.5013 k = 0.5000 0.2887 0.2533 ( 14464 PWs) bands (ev): -40.5981 -40.5981 -40.5979 -40.5979 -3.1250 -3.1250 -2.9854 -2.9854 -1.1331 -1.1331 -1.1175 -1.1175 -1.0069 -1.0069 -0.9750 -0.9750 -0.8137 -0.8137 -0.8007 -0.8007 -0.7217 -0.7217 -0.7103 -0.7103 -0.5680 -0.5680 -0.5217 -0.5217 0.8602 0.8602 1.0699 1.0699 4.1798 4.1798 4.3937 4.3937 4.7039 4.7039 5.0947 5.0947 7.4304 7.4304 7.6385 7.6385 8.4168 8.4168 8.6255 8.6255 k = 0.5000 0.2887 0.2392 ( 14456 PWs) bands (ev): -40.5981 -40.5981 -40.5978 -40.5978 -3.1424 -3.1424 -2.9695 -2.9695 -1.1345 -1.1345 -1.1151 -1.1151 -1.0107 -1.0107 -0.9711 -0.9711 -0.8146 -0.8146 -0.7986 -0.7986 -0.7230 -0.7230 -0.7091 -0.7091 -0.5730 -0.5730 -0.5159 -0.5159 0.8495 0.8495 1.1086 1.1086 4.0959 4.0959 4.3171 4.3171 4.7574 4.7574 5.1404 5.1404 7.3906 7.3906 7.6092 7.6092 8.4870 8.4870 8.7657 8.7657 k = 0.5000 0.2887 0.2251 ( 14476 PWs) bands (ev): -40.5982 -40.5982 -40.5978 -40.5978 -3.1595 -3.1595 -2.9542 -2.9542 -1.1358 -1.1358 -1.1126 -1.1126 -1.0143 -1.0143 -0.9673 -0.9673 -0.8154 -0.8154 -0.7965 -0.7965 -0.7244 -0.7244 -0.7079 -0.7079 -0.5777 -0.5777 -0.5103 -0.5103 0.8429 0.8429 1.1491 1.1491 4.0019 4.0019 4.2499 4.2499 4.8102 4.8102 5.1726 5.1726 7.3651 7.3651 7.5773 7.5773 8.5654 8.5654 8.9176 8.9176 k = 0.5000 0.2887 0.2111 ( 14482 PWs) bands (ev): -40.5982 -40.5982 -40.5978 -40.5978 -3.1760 -3.1760 -2.9396 -2.9396 -1.1370 -1.1370 -1.1100 -1.1100 -1.0178 -1.0178 -0.9636 -0.9636 -0.8160 -0.8160 -0.7943 -0.7943 -0.7256 -0.7256 -0.7069 -0.7069 -0.5821 -0.5821 -0.5051 -0.5051 0.8402 0.8402 1.1912 1.1912 3.9002 3.9002 4.1919 4.1919 4.8593 4.8593 5.1928 5.1928 7.3550 7.3550 7.5447 7.5447 8.6503 8.6503 9.0783 9.0783 k = 0.5000 0.2887 0.1970 ( 14466 PWs) bands (ev): -40.5982 -40.5982 -40.5977 -40.5977 -3.1920 -3.1920 -2.9258 -2.9258 -1.1381 -1.1381 -1.1074 -1.1074 -1.0212 -1.0212 -0.9601 -0.9601 -0.8164 -0.8164 -0.7922 -0.7922 -0.7267 -0.7267 -0.7060 -0.7060 -0.5863 -0.5863 -0.5002 -0.5002 0.8414 0.8414 1.2344 1.2344 3.7943 3.7943 4.1411 4.1411 4.9007 4.9007 5.2050 5.2050 7.3599 7.3599 7.5127 7.5127 8.7405 8.7405 9.2458 9.2458 k = 0.5000 0.2887 0.1829 ( 14462 PWs) bands (ev): -40.5982 -40.5982 -40.5977 -40.5977 -3.2073 -3.2073 -2.9128 -2.9128 -1.1391 -1.1391 -1.1048 -1.1048 -1.0245 -1.0245 -0.9568 -0.9568 -0.8166 -0.8166 -0.7900 -0.7900 -0.7278 -0.7278 -0.7053 -0.7053 -0.5901 -0.5901 -0.4957 -0.4957 0.8465 0.8465 1.2785 1.2785 3.6869 3.6869 4.0960 4.0960 4.9291 4.9291 5.2158 5.2158 7.3780 7.3780 7.4825 7.4825 8.8347 8.8347 9.4186 9.4186 k = 0.5000 0.2887 0.1688 ( 14462 PWs) bands (ev): -40.5983 -40.5983 -40.5977 -40.5977 -3.2219 -3.2219 -2.9006 -2.9006 -1.1400 -1.1400 -1.1021 -1.1021 -1.0277 -1.0277 -0.9537 -0.9537 -0.8167 -0.8167 -0.7879 -0.7879 -0.7287 -0.7287 -0.7047 -0.7047 -0.5936 -0.5936 -0.4917 -0.4917 0.8553 0.8553 1.3229 1.3229 3.5800 3.5800 4.0555 4.0555 4.9385 4.9385 5.2330 5.2330 7.4048 7.4048 7.4566 7.4566 8.9316 8.9316 9.5953 9.5953 k = 0.5000 0.2887 0.1548 ( 14458 PWs) bands (ev): -40.5983 -40.5983 -40.5977 -40.5977 -3.2356 -3.2356 -2.8894 -2.8894 -1.1408 -1.1408 -1.0995 -1.0995 -1.0307 -1.0307 -0.9509 -0.9509 -0.8166 -0.8166 -0.7859 -0.7859 -0.7294 -0.7294 -0.7042 -0.7042 -0.5968 -0.5968 -0.4882 -0.4882 0.8675 0.8675 1.3672 1.3672 3.4753 3.4753 4.0188 4.0188 4.9272 4.9272 5.2606 5.2606 7.4144 7.4144 7.4587 7.4587 9.0297 9.0297 9.7739 9.7739 k = 0.5000 0.2887 0.1407 ( 14458 PWs) bands (ev): -40.5983 -40.5983 -40.5976 -40.5976 -3.2484 -3.2484 -2.8792 -2.8792 -1.1415 -1.1415 -1.0969 -1.0969 -1.0336 -1.0336 -0.9482 -0.9482 -0.8164 -0.8164 -0.7839 -0.7839 -0.7301 -0.7301 -0.7039 -0.7039 -0.5997 -0.5997 -0.4852 -0.4852 0.8828 0.8828 1.4109 1.4109 3.3739 3.3739 3.9857 3.9857 4.8991 4.8991 5.2971 5.2971 7.3942 7.3942 7.4987 7.4987 9.1271 9.1271 9.8612 9.8612 k = 0.5000 0.2887 0.1266 ( 14464 PWs) bands (ev): -40.5983 -40.5983 -40.5976 -40.5976 -3.2602 -3.2602 -2.8698 -2.8698 -1.1421 -1.1421 -1.0943 -1.0943 -1.0363 -1.0363 -0.9459 -0.9459 -0.8162 -0.8162 -0.7821 -0.7821 -0.7305 -0.7305 -0.7038 -0.7038 -0.6023 -0.6023 -0.4827 -0.4827 0.9007 0.9007 1.4533 1.4533 3.2769 3.2769 3.9560 3.9560 4.8601 4.8601 5.3384 5.3384 7.3721 7.3721 7.5464 7.5464 9.2215 9.2215 9.7623 9.7623 k = 0.5000 0.2887 0.1126 ( 14476 PWs) bands (ev): -40.5984 -40.5984 -40.5976 -40.5976 -3.2709 -3.2709 -2.8615 -2.8615 -1.1427 -1.1427 -1.0918 -1.0918 -1.0389 -1.0389 -0.9437 -0.9437 -0.8158 -0.8158 -0.7804 -0.7804 -0.7308 -0.7308 -0.7037 -0.7037 -0.6046 -0.6046 -0.4806 -0.4806 0.9205 0.9205 1.4940 1.4940 3.1855 3.1855 3.9296 3.9296 4.8155 4.8155 5.3811 5.3811 7.3517 7.3517 7.5959 7.5959 9.3102 9.3102 9.6695 9.6695 k = 0.5000 0.2887 0.0985 ( 14474 PWs) bands (ev): -40.5984 -40.5984 -40.5976 -40.5976 -3.2805 -3.2805 -2.8542 -2.8542 -1.1431 -1.1431 -1.0894 -1.0894 -1.0414 -1.0414 -0.9419 -0.9419 -0.8155 -0.8155 -0.7789 -0.7789 -0.7310 -0.7310 -0.7039 -0.7039 -0.6066 -0.6066 -0.4789 -0.4789 0.9415 0.9415 1.5322 1.5322 3.1007 3.1007 3.9063 3.9063 4.7692 4.7692 5.4228 5.4228 7.3335 7.3335 7.6448 7.6448 9.3889 9.3889 9.5876 9.5876 k = 0.5000 0.2887 0.0844 ( 14478 PWs) bands (ev): -40.5984 -40.5984 -40.5976 -40.5976 -3.2890 -3.2890 -2.8478 -2.8478 -1.1435 -1.1435 -1.0871 -1.0871 -1.0436 -1.0436 -0.9403 -0.9403 -0.8151 -0.8151 -0.7776 -0.7776 -0.7310 -0.7310 -0.7041 -0.7041 -0.6083 -0.6083 -0.4776 -0.4776 0.9629 0.9629 1.5672 1.5672 3.0236 3.0236 3.8861 3.8861 4.7242 4.7242 5.4619 5.4619 7.3176 7.3176 7.6912 7.6912 9.4435 9.4435 9.5295 9.5295 k = 0.5000 0.2887 0.0704 ( 14474 PWs) bands (ev): -40.5984 -40.5984 -40.5976 -40.5976 -3.2962 -3.2962 -2.8424 -2.8424 -1.1439 -1.1439 -1.0850 -1.0850 -1.0457 -1.0457 -0.9389 -0.9389 -0.8147 -0.8147 -0.7764 -0.7764 -0.7309 -0.7309 -0.7044 -0.7044 -0.6097 -0.6097 -0.4766 -0.4766 0.9837 0.9837 1.5984 1.5984 2.9555 2.9555 3.8691 3.8691 4.6825 4.6825 5.4970 5.4970 7.3040 7.3040 7.7334 7.7334 9.4226 9.4226 9.5452 9.5452 k = 0.5000 0.2887 0.0563 ( 14474 PWs) bands (ev): -40.5984 -40.5984 -40.5976 -40.5976 -3.3021 -3.3021 -2.8380 -2.8380 -1.1441 -1.1441 -1.0831 -1.0831 -1.0475 -1.0475 -0.9378 -0.9378 -0.8143 -0.8143 -0.7755 -0.7755 -0.7308 -0.7308 -0.7047 -0.7047 -0.6109 -0.6109 -0.4759 -0.4759 1.0028 1.0028 1.6251 1.6251 2.8975 2.8975 3.8552 3.8552 4.6461 4.6461 5.5272 5.5272 7.2929 7.2929 7.7700 7.7700 9.3743 9.3743 9.5866 9.5866 k = 0.5000 0.2887 0.0422 ( 14478 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -3.3068 -3.3068 -2.8346 -2.8346 -1.1443 -1.1443 -1.0815 -1.0815 -1.0491 -1.0491 -0.9370 -0.9370 -0.8140 -0.8140 -0.7747 -0.7747 -0.7306 -0.7306 -0.7050 -0.7050 -0.6117 -0.6117 -0.4754 -0.4754 1.0191 1.0191 1.6466 1.6466 2.8508 2.8508 3.8444 3.8444 4.6163 4.6163 5.5515 5.5515 7.2843 7.2843 7.7998 7.7998 9.3328 9.3328 9.6203 9.6203 k = 0.5000 0.2887 0.0281 ( 14462 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -3.3102 -3.3102 -2.8321 -2.8321 -1.1445 -1.1445 -1.0803 -1.0803 -1.0503 -1.0503 -0.9363 -0.9363 -0.8138 -0.8138 -0.7742 -0.7742 -0.7304 -0.7304 -0.7053 -0.7053 -0.6124 -0.6124 -0.4751 -0.4751 1.0317 1.0317 1.6624 1.6624 2.8165 2.8165 3.8367 3.8367 4.5942 4.5942 5.5694 5.5694 7.2781 7.2781 7.8218 7.8218 9.3021 9.3021 9.6437 9.6437 k = 0.5000 0.2887 0.0141 ( 14474 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -3.3122 -3.3122 -2.8307 -2.8307 -1.1446 -1.1446 -1.0795 -1.0795 -1.0510 -1.0510 -0.9360 -0.9360 -0.8137 -0.8137 -0.7739 -0.7739 -0.7303 -0.7303 -0.7055 -0.7055 -0.6127 -0.6127 -0.4749 -0.4749 1.0396 1.0396 1.6721 1.6721 2.7955 2.7955 3.8321 3.8321 4.5807 4.5807 5.5803 5.5803 7.2744 7.2744 7.8353 7.8353 9.2834 9.2834 9.6571 9.6571 k = 0.5000 0.2887-0.0000 ( 14478 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -3.3128 -3.3128 -2.8302 -2.8302 -1.1446 -1.1446 -1.0792 -1.0792 -1.0513 -1.0513 -0.9359 -0.9359 -0.8136 -0.8136 -0.7738 -0.7738 -0.7302 -0.7302 -0.7056 -0.7056 -0.6129 -0.6129 -0.4749 -0.4749 1.0423 1.0423 1.6754 1.6754 2.7884 2.7884 3.8305 3.8305 4.5761 4.5761 5.5840 5.5840 7.2731 7.2731 7.8399 7.8399 9.2771 9.2771 9.6615 9.6615 k = 0.3333 0.5774-0.0000 ( 14490 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -2.9744 -2.9744 -2.9712 -2.9598 -1.1278 -1.1278 -1.0857 -1.0857 -1.0671 -1.0139 -0.9260 -0.9260 -0.7987 -0.7987 -0.7609 -0.7413 -0.7413 -0.7207 -0.7119 -0.7119 -0.5386 -0.5386 -0.5055 -0.4409 1.4548 1.5795 1.6437 1.6437 2.2632 2.2632 3.5282 3.5282 3.6596 3.8457 3.8457 3.8547 8.0785 8.0785 10.2143 10.5603 10.5603 10.6196 11.5715 11.5943 k = 0.3333 0.5774 0.0141 ( 14469 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -2.9742 -2.9742 -2.9710 -2.9596 -1.1278 -1.1278 -1.0857 -1.0857 -1.0670 -1.0140 -0.9261 -0.9261 -0.7986 -0.7986 -0.7609 -0.7414 -0.7414 -0.7209 -0.7119 -0.7119 -0.5384 -0.5384 -0.5052 -0.4407 1.4514 1.5753 1.6397 1.6397 2.2645 2.2645 3.5272 3.5272 3.6670 3.8516 3.8516 3.8613 8.0831 8.0831 10.2023 10.5449 10.5449 10.6049 11.5274 11.5712 k = 0.3333 0.5774 0.0281 ( 14481 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -2.9736 -2.9736 -2.9704 -2.9591 -1.1277 -1.1277 -1.0858 -1.0858 -1.0669 -1.0142 -0.9265 -0.9265 -0.7984 -0.7984 -0.7610 -0.7414 -0.7414 -0.7215 -0.7120 -0.7120 -0.5380 -0.5380 -0.5042 -0.4404 1.4416 1.5628 1.6280 1.6280 2.2683 2.2683 3.5238 3.5238 3.6891 3.8696 3.8696 3.8810 8.0969 8.0969 10.1659 10.4985 10.4985 10.5596 11.4393 11.5143 k = 0.3333 0.5774 0.0422 ( 14481 PWs) bands (ev): -40.5984 -40.5984 -40.5975 -40.5975 -2.9728 -2.9728 -2.9694 -2.9582 -1.1275 -1.1275 -1.0859 -1.0859 -1.0667 -1.0145 -0.9273 -0.9273 -0.7982 -0.7982 -0.7612 -0.7415 -0.7415 -0.7224 -0.7121 -0.7121 -0.5373 -0.5373 -0.5026 -0.4397 1.4256 1.5428 1.6092 1.6092 2.2747 2.2747 3.5172 3.5172 3.7252 3.8999 3.8999 3.9132 8.1198 8.1198 10.1054 10.4213 10.4213 10.4816 11.3547 11.4461 k = 0.3333 0.5774 0.0563 ( 14499 PWs) bands (ev): -40.5984 -40.5984 -40.5976 -40.5976 -2.9715 -2.9715 -2.9680 -2.9571 -1.1273 -1.1273 -1.0860 -1.0860 -1.0665 -1.0150 -0.9282 -0.9282 -0.7978 -0.7978 -0.7614 -0.7416 -0.7416 -0.7237 -0.7123 -0.7123 -0.5363 -0.5363 -0.5004 -0.4389 1.4041 1.5160 1.5841 1.5841 2.2836 2.2836 3.5064 3.5064 3.7743 3.9427 3.9427 3.9572 8.1517 8.1517 10.0212 10.3153 10.3153 10.3719 11.2905 11.3819 k = 0.3333 0.5774 0.0704 ( 14493 PWs) bands (ev): -40.5984 -40.5984 -40.5976 -40.5976 -2.9700 -2.9700 -2.9663 -2.9556 -1.1270 -1.1270 -1.0862 -1.0862 -1.0661 -1.0156 -0.9294 -0.9294 -0.7973 -0.7973 -0.7616 -0.7418 -0.7418 -0.7253 -0.7125 -0.7125 -0.5350 -0.5350 -0.4976 -0.4378 1.3780 1.4838 1.5538 1.5538 2.2949 2.2949 3.4911 3.4911 3.8352 3.9976 3.9976 4.0121 8.1922 8.1922 9.9156 10.1852 10.1852 10.2357 11.2484 11.3291 k = 0.3333 0.5774 0.0844 ( 14493 PWs) bands (ev): -40.5984 -40.5984 -40.5976 -40.5976 -2.9682 -2.9682 -2.9643 -2.9538 -1.1266 -1.1266 -1.0865 -1.0865 -1.0657 -1.0164 -0.9309 -0.9309 -0.7967 -0.7967 -0.7619 -0.7420 -0.7420 -0.7272 -0.7127 -0.7127 -0.5335 -0.5335 -0.4943 -0.4366 1.3482 1.4473 1.5195 1.5195 2.3086 2.3086 3.4712 3.4712 3.9064 4.0634 4.0634 4.0769 8.2412 8.2412 9.7917 10.0368 10.0368 10.0804 11.2246 11.2897 k = 0.3333 0.5774 0.0985 ( 14475 PWs) bands (ev): -40.5983 -40.5983 -40.5976 -40.5976 -2.9661 -2.9661 -2.9620 -2.9519 -1.1262 -1.1262 -1.0867 -1.0867 -1.0652 -1.0172 -0.9325 -0.9325 -0.7961 -0.7961 -0.7622 -0.7422 -0.7422 -0.7292 -0.7130 -0.7130 -0.5318 -0.5318 -0.4905 -0.4351 1.3156 1.4077 1.4822 1.4822 2.3246 2.3246 3.4470 3.4470 3.9867 4.1391 4.1391 4.1504 8.2982 8.2982 9.6535 9.8760 9.8760 9.9128 11.2143 11.2632 k = 0.3333 0.5774 0.1126 ( 14457 PWs) bands (ev): -40.5983 -40.5983 -40.5976 -40.5976 -2.9638 -2.9638 -2.9594 -2.9497 -1.1257 -1.1257 -1.0870 -1.0870 -1.0646 -1.0183 -0.9342 -0.9342 -0.7954 -0.7954 -0.7625 -0.7424 -0.7424 -0.7315 -0.7133 -0.7133 -0.5299 -0.5299 -0.4864 -0.4335 1.2812 1.3661 1.4431 1.4431 2.3429 2.3429 3.4189 3.4189 4.0747 4.2231 4.2231 4.2313 8.3631 8.3631 9.5051 9.7074 9.7074 9.7383 11.2138 11.2479 k = 0.3333 0.5774 0.1266 ( 14478 PWs) bands (ev): -40.5983 -40.5983 -40.5976 -40.5976 -2.9614 -2.9614 -2.9567 -2.9474 -1.1251 -1.1251 -1.0874 -1.0874 -1.0639 -1.0194 -0.9360 -0.9360 -0.7947 -0.7947 -0.7628 -0.7427 -0.7427 -0.7339 -0.7137 -0.7137 -0.5278 -0.5278 -0.4819 -0.4319 1.2458 1.3236 1.4032 1.4032 2.3635 2.3635 3.3874 3.3874 4.1691 4.3142 4.3142 4.3186 8.4354 8.4354 9.3500 9.5346 9.5346 9.5606 11.2204 11.2419 k = 0.3333 0.5774 0.1407 ( 14490 PWs) bands (ev): -40.5983 -40.5983 -40.5976 -40.5976 -2.9588 -2.9588 -2.9538 -2.9450 -1.1246 -1.1246 -1.0877 -1.0877 -1.0631 -1.0207 -0.9379 -0.9379 -0.7940 -0.7940 -0.7632 -0.7430 -0.7430 -0.7364 -0.7141 -0.7141 -0.5255 -0.5255 -0.4771 -0.4302 1.2102 1.2810 1.3632 1.3632 2.3862 2.3862 3.3529 3.3529 4.2685 4.4108 4.4108 4.4109 8.5147 8.5147 9.1913 9.3607 9.3607 9.3825 11.2324 11.2435 k = 0.3333 0.5774 0.1548 ( 14499 PWs) bands (ev): -40.5983 -40.5983 -40.5977 -40.5977 -2.9562 -2.9562 -2.9508 -2.9425 -1.1240 -1.1240 -1.0881 -1.0881 -1.0621 -1.0222 -0.9398 -0.9398 -0.7932 -0.7932 -0.7635 -0.7434 -0.7434 -0.7390 -0.7145 -0.7145 -0.5232 -0.5232 -0.4721 -0.4284 1.1752 1.2392 1.3240 1.3240 2.4109 2.4109 3.3160 3.3160 4.3718 4.5069 4.5116 4.5116 8.6005 8.6005 9.0318 9.1879 9.1879 9.2059 11.2486 11.2512 k = 0.3333 0.5774 0.1688 ( 14502 PWs) bands (ev): -40.5983 -40.5983 -40.5977 -40.5977 -2.9536 -2.9536 -2.9478 -2.9401 -1.1234 -1.1234 -1.0886 -1.0886 -1.0610 -1.0237 -0.9418 -0.9418 -0.7925 -0.7925 -0.7638 -0.7437 -0.7437 -0.7416 -0.7148 -0.7148 -0.5208 -0.5208 -0.4670 -0.4268 1.1414 1.1988 1.2862 1.2862 2.4376 2.4376 3.2770 3.2770 4.4776 4.6053 4.6153 4.6153 8.6917 8.6917 8.8738 9.0189 9.0189 9.0327 11.2638 11.2678 k = 0.3333 0.5774 0.1829 ( 14496 PWs) bands (ev): -40.5982 -40.5982 -40.5977 -40.5977 -2.9510 -2.9510 -2.9448 -2.9377 -1.1227 -1.1227 -1.0890 -1.0890 -1.0599 -1.0254 -0.9436 -0.9436 -0.7918 -0.7918 -0.7640 -0.7441 -0.7441 -0.7441 -0.7152 -0.7152 -0.5184 -0.5184 -0.4619 -0.4252 1.1094 1.1604 1.2505 1.2505 2.4661 2.4661 3.2365 3.2365 4.5846 4.7046 4.7202 4.7202 8.7195 8.7787 8.7787 8.8645 8.8649 8.8649 11.2452 11.2452 k = 0.3333 0.5774 0.1970 ( 14496 PWs) bands (ev): -40.5982 -40.5982 -40.5977 -40.5977 -2.9486 -2.9486 -2.9419 -2.9355 -1.1221 -1.1221 -1.0894 -1.0894 -1.0586 -1.0272 -0.9454 -0.9454 -0.7911 -0.7911 -0.7642 -0.7466 -0.7444 -0.7444 -0.7156 -0.7156 -0.5160 -0.5160 -0.4567 -0.4238 1.0798 1.1245 1.2173 1.2173 2.4963 2.4963 3.1948 3.1948 4.6913 4.8031 4.8249 4.8249 8.5712 8.6854 8.6854 8.7029 8.9033 8.9033 11.0945 11.0945 k = 0.3333 0.5774 0.2111 ( 14505 PWs) bands (ev): -40.5982 -40.5982 -40.5978 -40.5978 -2.9462 -2.9462 -2.9392 -2.9334 -1.1215 -1.1215 -1.0899 -1.0899 -1.0571 -1.0291 -0.9470 -0.9470 -0.7905 -0.7905 -0.7642 -0.7489 -0.7448 -0.7448 -0.7160 -0.7160 -0.5137 -0.5137 -0.4517 -0.4226 1.0529 1.0916 1.1871 1.1871 2.5279 2.5279 3.1525 3.1525 4.7960 4.8988 4.9274 4.9274 8.4310 8.5374 8.5374 8.5498 9.0104 9.0104 10.9424 10.9424 k = 0.3333 0.5774 0.2251 ( 14517 PWs) bands (ev): -40.5982 -40.5982 -40.5978 -40.5978 -2.9441 -2.9441 -2.9366 -2.9316 -1.1210 -1.1210 -1.0903 -1.0903 -1.0555 -1.0311 -0.9485 -0.9485 -0.7899 -0.7899 -0.7642 -0.7512 -0.7451 -0.7451 -0.7163 -0.7163 -0.5116 -0.5116 -0.4469 -0.4217 1.0291 1.0620 1.1601 1.1601 2.5608 2.5608 3.1099 3.1099 4.8966 4.9895 5.0256 5.0256 8.3016 8.3981 8.3981 8.4070 9.1245 9.1245 10.7900 10.7900 k = 0.3333 0.5774 0.2392 ( 14505 PWs) bands (ev): -40.5981 -40.5981 -40.5978 -40.5978 -2.9422 -2.9422 -2.9342 -2.9300 -1.1205 -1.1205 -1.0906 -1.0906 -1.0539 -1.0332 -0.9498 -0.9498 -0.7894 -0.7894 -0.7641 -0.7533 -0.7454 -0.7454 -0.7166 -0.7166 -0.5098 -0.5098 -0.4423 -0.4211 1.0089 1.0360 1.1368 1.1368 2.5944 2.5944 3.0677 3.0677 4.9909 5.0725 5.1169 5.1169 8.1857 8.2717 8.2717 8.2770 9.2437 9.2437 10.6381 10.6381 k = 0.3333 0.5774 0.2533 ( 14505 PWs) bands (ev): -40.5981 -40.5981 -40.5978 -40.5978 -2.9406 -2.9406 -2.9322 -2.9287 -1.1200 -1.1200 -1.0910 -1.0910 -1.0521 -1.0353 -0.9510 -0.9510 -0.7890 -0.7890 -0.7638 -0.7552 -0.7457 -0.7457 -0.7168 -0.7168 -0.5081 -0.5081 -0.4380 -0.4210 0.9924 1.0140 1.1174 1.1174 2.6283 2.6283 3.0267 3.0267 5.0763 5.1449 5.1984 5.1984 8.0863 8.1613 8.1613 8.1623 9.3675 9.3675 10.4874 10.4874 k = 0.3333 0.5774 0.2673 ( 14481 PWs) bands (ev): -40.5981 -40.5981 -40.5979 -40.5979 -2.9393 -2.9393 -2.9304 -2.9278 -1.1196 -1.1196 -1.0913 -1.0913 -1.0502 -1.0375 -0.9518 -0.9518 -0.7886 -0.7886 -0.7633 -0.7569 -0.7459 -0.7459 -0.7170 -0.7170 -0.5068 -0.5068 -0.4341 -0.4213 0.9799 0.9960 1.1021 1.1021 2.6612 2.6612 2.9880 2.9880 5.1498 5.2036 5.2669 5.2669 8.0067 8.0659 8.0704 8.0704 9.4954 9.4954 10.3383 10.3383 k = 0.3333 0.5774 0.2814 ( 14493 PWs) bands (ev): -40.5980 -40.5980 -40.5979 -40.5979 -2.9384 -2.9384 -2.9290 -2.9273 -1.1194 -1.1194 -1.0915 -1.0915 -1.0482 -1.0396 -0.9525 -0.9525 -0.7884 -0.7884 -0.7627 -0.7585 -0.7461 -0.7461 -0.7171 -0.7171 -0.5059 -0.5059 -0.4307 -0.4221 0.9716 0.9823 1.0911 1.0911 2.6911 2.6911 2.9540 2.9540 5.2082 5.2454 5.3190 5.3190 7.9502 7.9909 8.0022 8.0022 9.6271 9.6271 10.1915 10.1915 k = 0.3333 0.5774 0.2955 ( 14499 PWs) bands (ev): -40.5980 -40.5980 -40.5979 -40.5979 -2.9378 -2.9378 -2.9280 -2.9271 -1.1192 -1.1192 -1.0916 -1.0916 -1.0461 -1.0418 -0.9529 -0.9529 -0.7882 -0.7882 -0.7620 -0.7598 -0.7462 -0.7462 -0.7172 -0.7172 -0.5053 -0.5053 -0.4278 -0.4235 0.9676 0.9730 1.0844 1.0844 2.7137 2.7137 2.9288 2.9288 5.2487 5.2677 5.3518 5.3518 7.9194 7.9401 7.9598 7.9598 9.7615 9.7615 10.0480 10.0480 k = 0.3333 0.5774 0.3096 ( 14496 PWs) bands (ev): -40.5980 -40.5980 -40.5980 -40.5980 -2.9376 -2.9376 -2.9273 -2.9273 -1.1191 -1.1191 -1.0916 -1.0916 -1.0440 -1.0440 -0.9530 -0.9530 -0.7882 -0.7882 -0.7610 -0.7610 -0.7462 -0.7462 -0.7172 -0.7172 -0.5051 -0.5051 -0.4253 -0.4253 0.9681 0.9681 1.0822 1.0822 2.7226 2.7226 2.9191 2.9191 5.2689 5.2689 5.3629 5.3629 7.9159 7.9159 7.9454 7.9454 9.8758 9.8758 9.9306 9.9306 Writing output data file LiZnSb.save init_run : 4.50s CPU 13.95s WALL ( 1 calls) electrons : 1040.44s CPU 1051.14s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.09s WALL ( 1 calls) potinit : 0.63s CPU 1.18s WALL ( 1 calls) Called by electrons: c_bands : 1040.40s CPU 1050.79s WALL ( 1 calls) v_of_rho : 0.39s CPU 0.81s WALL ( 1 calls) v_h : 0.03s CPU 0.06s WALL ( 1 calls) v_xc : 0.36s CPU 0.52s WALL ( 1 calls) newd : 0.62s CPU 0.70s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.18s CPU 0.35s WALL ( 301 calls) cegterg : 923.51s CPU 928.86s WALL ( 569 calls) Called by sum_band: Called by *egterg: h_psi : 578.30s CPU 585.69s WALL ( 9789 calls) s_psi : 52.79s CPU 52.99s WALL ( 9789 calls) g_psi : 1.99s CPU 1.94s WALL ( 8919 calls) cdiaghg : 170.34s CPU 168.54s WALL ( 9220 calls) cegterg:over : 81.62s CPU 79.40s WALL ( 8919 calls) cegterg:upda : 33.92s CPU 36.99s WALL ( 8919 calls) cegterg:last : 27.00s CPU 27.75s WALL ( 1698 calls) Called by h_psi: h_psi:vloc : 468.70s CPU 473.47s WALL ( 9789 calls) h_psi:vnl : 107.58s CPU 109.16s WALL ( 9789 calls) add_vuspsi : 42.29s CPU 45.83s WALL ( 9789 calls) General routines calbec : 65.24s CPU 63.21s WALL ( 9789 calls) fft : 0.48s CPU 1.16s WALL ( 15 calls) fftw : 448.26s CPU 451.17s WALL ( 987072 calls) davcio : 0.04s CPU 4.70s WALL ( 602 calls) Parallel routines fft_scatter : 257.32s CPU 254.98s WALL ( 987087 calls) PWSCF : 19m 1.52s CPU 23m 9.16s WALL This run was terminated on: 1: 2: 1 19Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=