! Pwscf input file created with ciftopw.py 
! Compound: NaGa(SiO3)2
&control
         calculation     = 'bands'
         prefix          = 'NaGaxSiO3x2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           12.1944552894689924
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            0.8160819624199177
         celldm(4)       =            0.2240014103341215
         celldm(5)       =            0.2240014103341215
         celldm(6)       =            0.0940118583851292
         nat             =       20
         ntyp            =        4
         ecutwfc         =       67.00000000
         ecutrho         =      324.00000000
         occupations     =  'smearing'  
         smearing        =  'f-d' 
         degauss         =        1.00000000e-03  
         noncolin        =  .true. 
         lspinorb        =  .true. 
/
&electrons
         conv_thr        =        1.00000000e-05 
         mixing_beta     =        3.00000000e-01    
   /
ATOMIC_SPECIES
 O  15.9994 O.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Na  22.9898 Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF 
Si  28.0855 Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Ga  69.7230 Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
243
      0.00000000       0.00000000       0.00000000 1.0 
      0.01428571       0.01428571       0.00000000 1.0 
      0.02857143       0.02857143       0.00000000 1.0 
      0.04285714       0.04285714       0.00000000 1.0 
      0.05714286       0.05714286       0.00000000 1.0 
      0.07142857       0.07142857       0.00000000 1.0 
      0.08571429       0.08571429       0.00000000 1.0 
      0.10000000       0.10000000      -0.00000000 1.0 
      0.11428571       0.11428571       0.00000000 1.0 
      0.12857143       0.12857143       0.00000000 1.0 
      0.14285714       0.14285714       0.00000000 1.0 
      0.15714286       0.15714286       0.00000000 1.0 
      0.17142857       0.17142857       0.00000000 1.0 
      0.18571429       0.18571429      -0.00000000 1.0 
      0.20000000       0.20000000      -0.00000000 1.0 
      0.21428571       0.21428571       0.00000000 1.0 
      0.22857143       0.22857143       0.00000000 1.0 
      0.24285714       0.24285714       0.00000000 1.0 
      0.25714286       0.25714286       0.00000000 1.0 
      0.27142857       0.27142857       0.00000000 1.0 
      0.28571429       0.28571429       0.00000000 1.0 
      0.30000000       0.30000000       0.00000000 1.0 
      0.31428571       0.31428571       0.00000000 1.0 
      0.32857143       0.32857143       0.00000000 1.0 
      0.34285714       0.34285714       0.00000000 1.0 
      0.35714286       0.35714286       0.00000000 1.0 
      0.37142857       0.37142857      -0.00000000 1.0 
      0.38571429       0.38571429       0.00000000 1.0 
      0.40000000       0.40000000      -0.00000000 1.0 
      0.41428571       0.41428571      -0.00000000 1.0 
      0.42857143       0.42857143       0.00000000 1.0 
      0.44285714       0.44285714      -0.00000000 1.0 
      0.45714286       0.45714286       0.00000000 1.0 
      0.47142857       0.47142857      -0.00000000 1.0 
      0.48571429       0.48571429       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50457299       0.50457299       0.01666031 1.0 
      0.50914597       0.50914597       0.03332061 1.0 
      0.51371896       0.51371896       0.04998092 1.0 
      0.51829195       0.51829195       0.06664122 1.0 
      0.52286493       0.52286493       0.08330153 1.0 
      0.52743792       0.52743792       0.09996183 1.0 
      0.53201091       0.53201091       0.11662214 1.0 
      0.53658389       0.53658389       0.13328244 1.0 
      0.54115688       0.54115688       0.14994275 1.0 
      0.54572987       0.54572987       0.16660305 1.0 
      0.55030285       0.55030285       0.18326336 1.0 
      0.55487584       0.55487584       0.19992366 1.0 
      0.55944883       0.55944883       0.21658397 1.0 
      0.56402181       0.56402181       0.23324427 1.0 
      0.56859480       0.56859480       0.24990458 1.0 
      0.57316779       0.57316779       0.26656488 1.0 
      0.57774077       0.57774077       0.28322519 1.0 
      0.58231376       0.58231376       0.29988549 1.0 
      0.58688674       0.58688674       0.31654580 1.0 
      0.59145973       0.59145973       0.33320610 1.0 
      0.59603272       0.59603272       0.34986641 1.0 
      0.60060570       0.60060570       0.36652671 1.0 
      0.60060570       0.60060570       0.36652671 1.0 
      0.59286680       0.59286680       0.37679389 1.0 
      0.58512790       0.58512790       0.38706106 1.0 
      0.57738900       0.57738900       0.39732824 1.0 
      0.56965010       0.56965010       0.40759542 1.0 
      0.56191120       0.56191120       0.41786259 1.0 
      0.55417230       0.55417230       0.42812977 1.0 
      0.54643340       0.54643340       0.43839694 1.0 
      0.53869450       0.53869450       0.44866412 1.0 
      0.53095560       0.53095560       0.45893130 1.0 
      0.52321670       0.52321670       0.46919847 1.0 
      0.51547780       0.51547780       0.47946565 1.0 
      0.50773890       0.50773890       0.48973282 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.51338097       0.48661903       0.50000000 1.0 
      0.52676193       0.47323807       0.50000000 1.0 
      0.54014290       0.45985710       0.50000000 1.0 
      0.55352386       0.44647614       0.50000000 1.0 
      0.56690483       0.43309517       0.50000000 1.0 
      0.58028579       0.41971421       0.50000000 1.0 
      0.59366676       0.40633324       0.50000000 1.0 
      0.60704772       0.39295228       0.50000000 1.0 
      0.62042869       0.37957131       0.50000000 1.0 
      0.63380965       0.36619035       0.50000000 1.0 
      0.64719062       0.35280938       0.50000000 1.0 
      0.35280938      -0.35280938       0.50000000 1.0 
      0.33923979      -0.33923979       0.50000000 1.0 
      0.32567020      -0.32567020       0.50000000 1.0 
      0.31210061      -0.31210061       0.50000000 1.0 
      0.29853102      -0.29853102       0.50000000 1.0 
      0.28496143      -0.28496143       0.50000000 1.0 
      0.27139183      -0.27139183       0.50000000 1.0 
      0.25782224      -0.25782224       0.50000000 1.0 
      0.24425265      -0.24425265       0.50000000 1.0 
      0.23068306      -0.23068306       0.50000000 1.0 
      0.21711347      -0.21711347       0.50000000 1.0 
      0.20354388      -0.20354388       0.50000000 1.0 
      0.18997428      -0.18997428       0.50000000 1.0 
      0.17640469      -0.17640469       0.50000000 1.0 
      0.16283510      -0.16283510       0.50000000 1.0 
      0.14926551      -0.14926551       0.50000000 1.0 
      0.13569592      -0.13569592       0.50000000 1.0 
      0.12212633      -0.12212633       0.50000000 1.0 
      0.10855673      -0.10855673       0.50000000 1.0 
      0.09498714      -0.09498714       0.50000000 1.0 
      0.08141755      -0.08141755       0.50000000 1.0 
      0.06784796      -0.06784796       0.50000000 1.0 
      0.05427837      -0.05427837       0.50000000 1.0 
      0.04070878      -0.04070878       0.50000000 1.0 
      0.02713918      -0.02713918       0.50000000 1.0 
      0.01356959      -0.01356959       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.01479238       0.01479238       0.50494346 1.0 
      0.02958476       0.02958476       0.50988691 1.0 
      0.04437714       0.04437714       0.51483037 1.0 
      0.05916953       0.05916953       0.51977382 1.0 
      0.07396191       0.07396191       0.52471728 1.0 
      0.08875429       0.08875429       0.52966073 1.0 
      0.10354667       0.10354667       0.53460419 1.0 
      0.11833905       0.11833905       0.53954764 1.0 
      0.13313143       0.13313143       0.54449110 1.0 
      0.14792381       0.14792381       0.54943455 1.0 
      0.16271619       0.16271619       0.55437801 1.0 
      0.17750858       0.17750858       0.55932146 1.0 
      0.19230096       0.19230096       0.56426492 1.0 
      0.20709334       0.20709334       0.56920837 1.0 
      0.22188572       0.22188572       0.57415183 1.0 
      0.23667810       0.23667810       0.57909528 1.0 
      0.25147048       0.25147048       0.58403874 1.0 
      0.26626286       0.26626286       0.58898219 1.0 
      0.28105525       0.28105525       0.59392565 1.0 
      0.29584763       0.29584763       0.59886910 1.0 
      0.31064001       0.31064001       0.60381256 1.0 
      0.32543239       0.32543239       0.60875601 1.0 
      0.34022477       0.34022477       0.61369947 1.0 
      0.35501715       0.35501715       0.61864292 1.0 
      0.36980953       0.36980953       0.62358638 1.0 
      0.38460191       0.38460191       0.62852983 1.0 
      0.39939430       0.39939430       0.63347329 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.51102874       0.48897126       0.00000000 1.0 
      0.52205749       0.47794251       0.00000000 1.0 
      0.47794251      -0.47794251       0.00000000 1.0 
      0.46428701      -0.46428701       0.00000000 1.0 
      0.45063151      -0.45063151       0.00000000 1.0 
      0.43697601      -0.43697601       0.00000000 1.0 
      0.42332051      -0.42332051       0.00000000 1.0 
      0.40966501      -0.40966501       0.00000000 1.0 
      0.39600951      -0.39600951       0.00000000 1.0 
      0.38235401      -0.38235401       0.00000000 1.0 
      0.36869851      -0.36869851       0.00000000 1.0 
      0.35504301      -0.35504301       0.00000000 1.0 
      0.34138751      -0.34138751       0.00000000 1.0 
      0.32773201      -0.32773201       0.00000000 1.0 
      0.31407651      -0.31407651       0.00000000 1.0 
      0.30042101      -0.30042101       0.00000000 1.0 
      0.28676551      -0.28676551       0.00000000 1.0 
      0.27311001      -0.27311001       0.00000000 1.0 
      0.25945451      -0.25945451       0.00000000 1.0 
      0.24579901      -0.24579901       0.00000000 1.0 
      0.23214351      -0.23214351       0.00000000 1.0 
      0.21848801      -0.21848801       0.00000000 1.0 
      0.20483250      -0.20483250       0.00000000 1.0 
      0.19117700      -0.19117700       0.00000000 1.0 
      0.17752150      -0.17752150       0.00000000 1.0 
      0.16386600      -0.16386600       0.00000000 1.0 
      0.15021050      -0.15021050       0.00000000 1.0 
      0.13655500      -0.13655500       0.00000000 1.0 
      0.12289950      -0.12289950       0.00000000 1.0 
      0.10924400      -0.10924400       0.00000000 1.0 
      0.09558850      -0.09558850       0.00000000 1.0 
      0.08193300      -0.08193300       0.00000000 1.0 
      0.06827750      -0.06827750       0.00000000 1.0 
      0.05462200      -0.05462200       0.00000000 1.0 
      0.04096650      -0.04096650       0.00000000 1.0 
      0.02731100      -0.02731100       0.00000000 1.0 
      0.01365550      -0.01365550       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.01923077       0.00000000       0.00000000 1.0 
      0.03846154       0.00000000       0.00000000 1.0 
      0.05769231      -0.00000000       0.00000000 1.0 
      0.07692308       0.00000000       0.00000000 1.0 
      0.09615385      -0.00000000      -0.00000000 1.0 
      0.11538462      -0.00000000       0.00000000 1.0 
      0.13461538       0.00000000       0.00000000 1.0 
      0.15384615       0.00000000       0.00000000 1.0 
      0.17307692      -0.00000000       0.00000000 1.0 
      0.19230769      -0.00000000      -0.00000000 1.0 
      0.21153846      -0.00000000       0.00000000 1.0 
      0.23076923      -0.00000000       0.00000000 1.0 
      0.25000000       0.00000000       0.00000000 1.0 
      0.26923077       0.00000000       0.00000000 1.0 
      0.28846154       0.00000000       0.00000000 1.0 
      0.30769231       0.00000000       0.00000000 1.0 
      0.32692308       0.00000000       0.00000000 1.0 
      0.34615385      -0.00000000       0.00000000 1.0 
      0.36538462       0.00000000       0.00000000 1.0 
      0.38461538      -0.00000000      -0.00000000 1.0 
      0.40384615       0.00000000       0.00000000 1.0 
      0.42307692      -0.00000000       0.00000000 1.0 
      0.44230769      -0.00000000       0.00000000 1.0 
      0.46153846      -0.00000000       0.00000000 1.0 
      0.48076923       0.00000000       0.00000000 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.48611111      -0.00000000       0.48611111 1.0 
      0.47222222       0.00000000       0.47222222 1.0 
      0.45833333       0.00000000       0.45833333 1.0 
      0.44444444      -0.00000000       0.44444444 1.0 
      0.43055556       0.00000000       0.43055556 1.0 
      0.41666667       0.00000000       0.41666667 1.0 
      0.40277778       0.00000000       0.40277778 1.0 
      0.38888889      -0.00000000       0.38888889 1.0 
      0.37500000      -0.00000000       0.37500000 1.0 
      0.36111111       0.00000000       0.36111111 1.0 
      0.34722222       0.00000000       0.34722222 1.0 
      0.33333333       0.00000000       0.33333333 1.0 
      0.31944444      -0.00000000       0.31944444 1.0 
      0.30555556       0.00000000       0.30555556 1.0 
      0.29166667       0.00000000       0.29166667 1.0 
      0.27777778       0.00000000       0.27777778 1.0 
      0.26388889       0.00000000       0.26388889 1.0 
      0.25000000       0.00000000       0.25000000 1.0 
      0.23611111       0.00000000       0.23611111 1.0 
      0.22222222      -0.00000000       0.22222222 1.0 
      0.20833333       0.00000000       0.20833333 1.0 
      0.19444444       0.00000000       0.19444444 1.0 
      0.18055556       0.00000000       0.18055556 1.0 
      0.16666667       0.00000000       0.16666667 1.0 
      0.15277778       0.00000000       0.15277778 1.0 
      0.13888889       0.00000000       0.13888889 1.0 
      0.12500000       0.00000000       0.12500000 1.0 
      0.11111111      -0.00000000       0.11111111 1.0 
      0.09722222      -0.00000000       0.09722222 1.0 
      0.08333333      -0.00000000       0.08333333 1.0 
      0.06944444       0.00000000       0.06944444 1.0 
      0.05555556       0.00000000       0.05555556 1.0 
      0.04166667       0.00000000       0.04166667 1.0 
      0.02777778      -0.00000000       0.02777778 1.0 
      0.01388889       0.00000000       0.01388889 1.0 
      0.00000000       0.00000000       0.00000000 1.0 

