! Pwscf input file created with pymatgen.py 
! Compound: Pb4SeBr6
&control
         calculation     = 'bands'
         prefix          = 'Pb4SeBr6'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           17.9897825241498843
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =           -0.8950728147092855
         celldm(5)       =           -0.4787472257529846
         celldm(6)       =            0.3738200404622697
         nat             =       11
         ntyp            =        3
         ecutwfc         =       50.00000000
         ecutrho         =      244.00000000
         occupations     =  'smearing'  
         smearing        =  'f-d' 
         degauss         =        1.00000000e-03  
         noncolin        =  .true. 
         lspinorb        =  .true. 
/
&electrons
         conv_thr        =        1.00000000e-08 
         mixing_beta     =        3.00000000e-01    
   /
ATOMIC_SPECIES
Pb 207.2000 Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF 
Br  79.9040 Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Se  78.9600 Se_MT_PBE.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
279
      0.00000000       0.00000000       0.00000000 1.0 
     -0.00689985       0.00689985       0.00689985 1.0 
     -0.01379970       0.01379970       0.01379970 1.0 
     -0.02069954       0.02069954       0.02069954 1.0 
     -0.02759939       0.02759939       0.02759939 1.0 
     -0.03449924       0.03449924       0.03449924 1.0 
     -0.04139909       0.04139909       0.04139909 1.0 
     -0.04829893       0.04829893       0.04829893 1.0 
     -0.05519878       0.05519878       0.05519878 1.0 
     -0.06209863       0.06209863       0.06209863 1.0 
     -0.06899848       0.06899848       0.06899848 1.0 
     -0.07589832       0.07589832       0.07589832 1.0 
     -0.08279817       0.08279817       0.08279817 1.0 
     -0.08969802       0.08969802       0.08969802 1.0 
     -0.09659787       0.09659787       0.09659787 1.0 
     -0.10349771       0.10349771       0.10349771 1.0 
     -0.11039756       0.11039756       0.11039756 1.0 
     -0.11729741       0.11729741       0.11729741 1.0 
     -0.12419726       0.12419726       0.12419726 1.0 
     -0.13109710       0.13109710       0.13109710 1.0 
     -0.13799695       0.13799695       0.13799695 1.0 
     -0.14489680       0.14489680       0.14489680 1.0 
     -0.15179665       0.15179665       0.15179665 1.0 
     -0.15869649       0.15869649       0.15869649 1.0 
     -0.16559634       0.16559634       0.16559634 1.0 
     -0.17249619       0.17249619       0.17249619 1.0 
     -0.17939604       0.17939604       0.17939604 1.0 
     -0.18629588       0.18629588       0.18629588 1.0 
     -0.19319573       0.19319573       0.19319573 1.0 
     -0.20009558       0.20009558       0.20009558 1.0 
     -0.20699543       0.20699543       0.20699543 1.0 
     -0.21389528       0.21389528       0.21389528 1.0 
     -0.22079512       0.22079512       0.22079512 1.0 
     -0.22769497       0.22769497       0.22769497 1.0 
     -0.23459482       0.23459482       0.23459482 1.0 
     -0.24149467       0.24149467       0.24149467 1.0 
     -0.24839451       0.24839451       0.24839451 1.0 
     -0.25529436       0.25529436       0.25529436 1.0 
     -0.26219421       0.26219421       0.26219421 1.0 
     -0.26909406       0.26909406       0.26909406 1.0 
     -0.26909406       0.26909406       0.26909406 1.0 
     -0.25498993       0.25498993       0.28319818 1.0 
     -0.24088581       0.24088581       0.29730230 1.0 
     -0.22678168       0.22678168       0.31140643 1.0 
     -0.21267756       0.21267756       0.32551055 1.0 
     -0.19857343       0.19857343       0.33961468 1.0 
     -0.18446931       0.18446931       0.35371880 1.0 
     -0.17036518       0.17036518       0.36782293 1.0 
     -0.15626106       0.15626106       0.38192705 1.0 
     -0.14215694       0.14215694       0.39603118 1.0 
     -0.12805281       0.12805281       0.41013530 1.0 
     -0.11394869       0.11394869       0.42423942 1.0 
     -0.11394869       0.11394869       0.42423942 1.0 
     -0.09767030       0.09767030       0.43506236 1.0 
     -0.08139192       0.08139192       0.44588530 1.0 
     -0.06511354       0.06511354       0.45670824 1.0 
     -0.04883515       0.04883515       0.46753118 1.0 
     -0.03255677       0.03255677       0.47835412 1.0 
     -0.01627838       0.01627838       0.48917706 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.02500000       0.02500000       0.47500000 1.0 
      0.05000000       0.05000000       0.45000000 1.0 
      0.07500000       0.07500000       0.42500000 1.0 
      0.10000000       0.10000000       0.40000000 1.0 
      0.12500000       0.12500000       0.37500000 1.0 
      0.15000000       0.15000000       0.35000000 1.0 
      0.17500000       0.17500000       0.32500000 1.0 
      0.20000000       0.20000000       0.30000000 1.0 
      0.22500000       0.22500000       0.27500000 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.23529412       0.26470588       0.23529412 1.0 
      0.22058824       0.27941176       0.22058824 1.0 
      0.20588235       0.29411765       0.20588235 1.0 
      0.19117647       0.30882353       0.19117647 1.0 
      0.17647059       0.32352941       0.17647059 1.0 
      0.16176471       0.33823529       0.16176471 1.0 
      0.14705882       0.35294118       0.14705882 1.0 
      0.13235294       0.36764706       0.13235294 1.0 
      0.11764706       0.38235294       0.11764706 1.0 
      0.10294118       0.39705882       0.10294118 1.0 
      0.08823529       0.41176471       0.08823529 1.0 
      0.07352941       0.42647059       0.07352941 1.0 
      0.05882353       0.44117647       0.05882353 1.0 
      0.04411765       0.45588235       0.04411765 1.0 
      0.02941176       0.47058824       0.02941176 1.0 
      0.01470588       0.48529412       0.01470588 1.0 
      0.00000000       0.50000000      -0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.02446310       0.52099145      -0.02446310 1.0 
      0.04892619       0.54198290      -0.04892619 1.0 
      0.07338929       0.56297435      -0.07338929 1.0 
      0.09785238       0.58396580      -0.09785238 1.0 
      0.12231548       0.60495725      -0.12231548 1.0 
      0.14677858       0.62594870      -0.14677858 1.0 
      0.17124167       0.64694015      -0.17124167 1.0 
      0.19570477       0.66793160      -0.19570477 1.0 
      0.22016786       0.68892305      -0.22016786 1.0 
      0.24463096       0.70991449      -0.24463096 1.0 
      0.26909406       0.73090594      -0.26909406 1.0 
      0.26909406       0.73090594      -0.26909406 1.0 
      0.27588541       0.72411459      -0.27588541 1.0 
      0.28267676       0.71732324      -0.28267676 1.0 
      0.28946811       0.71053189      -0.28946811 1.0 
      0.29625946       0.70374054      -0.29625946 1.0 
      0.30305081       0.69694919      -0.30305081 1.0 
      0.30984216       0.69015784      -0.30984216 1.0 
      0.31663351       0.68336649      -0.31663351 1.0 
      0.32342487       0.67657513      -0.32342487 1.0 
      0.33021622       0.66978378      -0.33021622 1.0 
      0.33700757       0.66299243      -0.33700757 1.0 
      0.34379892       0.65620108      -0.34379892 1.0 
      0.35059027       0.64940973      -0.35059027 1.0 
      0.35738162       0.64261838      -0.35738162 1.0 
      0.36417297       0.63582703      -0.36417297 1.0 
      0.37096433       0.62903567      -0.37096433 1.0 
      0.37775568       0.62224432      -0.37775568 1.0 
      0.38454703       0.61545297      -0.38454703 1.0 
      0.39133838       0.60866162      -0.39133838 1.0 
      0.39812973       0.60187027      -0.39812973 1.0 
      0.40492108       0.59507892      -0.40492108 1.0 
      0.41171243       0.58828757      -0.41171243 1.0 
      0.41850378       0.58149622      -0.41850378 1.0 
      0.42529514       0.57470486      -0.42529514 1.0 
      0.43208649       0.56791351      -0.43208649 1.0 
      0.43887784       0.56112216      -0.43887784 1.0 
      0.44566919       0.55433081      -0.44566919 1.0 
      0.45246054       0.54753946      -0.45246054 1.0 
      0.45925189       0.54074811      -0.45925189 1.0 
      0.46604324       0.53395676      -0.46604324 1.0 
      0.47283459       0.52716541      -0.47283459 1.0 
      0.47962595       0.52037405      -0.47962595 1.0 
      0.48641730       0.51358270      -0.48641730 1.0 
      0.49320865       0.50679135      -0.49320865 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.47500000       0.47500000      -0.47500000 1.0 
      0.45000000       0.45000000      -0.45000000 1.0 
      0.42500000       0.42500000      -0.42500000 1.0 
      0.40000000       0.40000000      -0.40000000 1.0 
      0.37500000       0.37500000      -0.37500000 1.0 
      0.35000000       0.35000000      -0.35000000 1.0 
      0.32500000       0.32500000      -0.32500000 1.0 
      0.30000000       0.30000000      -0.30000000 1.0 
      0.27500000       0.27500000      -0.27500000 1.0 
      0.25000000       0.25000000      -0.25000000 1.0 
      0.22500000       0.22500000      -0.22500000 1.0 
      0.20000000       0.20000000      -0.20000000 1.0 
      0.17500000       0.17500000      -0.17500000 1.0 
      0.15000000       0.15000000      -0.15000000 1.0 
      0.12500000       0.12500000      -0.12500000 1.0 
      0.10000000       0.10000000      -0.10000000 1.0 
      0.07500000       0.07500000      -0.07500000 1.0 
      0.05000000       0.05000000      -0.05000000 1.0 
      0.02500000       0.02500000      -0.02500000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.01499368      -0.01499368       0.01499368 1.0 
      0.02998736      -0.02998736       0.02998736 1.0 
      0.04498104      -0.04498104       0.04498104 1.0 
      0.05997472      -0.05997472       0.05997472 1.0 
      0.07496840      -0.07496840       0.07496840 1.0 
      0.08996208      -0.08996208       0.08996208 1.0 
      0.10495576      -0.10495576       0.10495576 1.0 
      0.11994944      -0.11994944       0.11994944 1.0 
      0.13494312      -0.13494312       0.13494312 1.0 
      0.14993680      -0.14993680       0.14993680 1.0 
      0.16493048      -0.16493048       0.16493048 1.0 
      0.17992416      -0.17992416       0.17992416 1.0 
      0.19491784      -0.19491784       0.19491784 1.0 
      0.20991151      -0.20991151       0.20991151 1.0 
      0.22490519      -0.22490519       0.22490519 1.0 
      0.23989887      -0.23989887       0.23989887 1.0 
      0.25489255      -0.25489255       0.25489255 1.0 
      0.26988623      -0.26988623       0.26988623 1.0 
      0.28487991      -0.28487991       0.28487991 1.0 
      0.29987359      -0.29987359       0.29987359 1.0 
      0.31486727      -0.31486727       0.31486727 1.0 
      0.32986095      -0.32986095       0.32986095 1.0 
      0.34485463      -0.34485463       0.34485463 1.0 
      0.34485463      -0.34485463       0.34485463 1.0 
      0.35778341      -0.31611675       0.31611675 1.0 
      0.37071219      -0.28737886       0.28737886 1.0 
      0.38364097      -0.25864097       0.25864097 1.0 
      0.39656975      -0.22990309       0.22990309 1.0 
      0.40949853      -0.20116520       0.20116520 1.0 
      0.42242732      -0.17242732       0.17242732 1.0 
      0.43535610      -0.14368943       0.14368943 1.0 
      0.44828488      -0.11495154       0.11495154 1.0 
      0.46121366      -0.08621366       0.08621366 1.0 
      0.47414244      -0.05747577       0.05747577 1.0 
      0.48707122      -0.02873789       0.02873789 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.49324324       0.00675676       0.00675676 1.0 
      0.48648649       0.01351351       0.01351351 1.0 
      0.47972973       0.02027027       0.02027027 1.0 
      0.47297297       0.02702703       0.02702703 1.0 
      0.46621622       0.03378378       0.03378378 1.0 
      0.45945946       0.04054054       0.04054054 1.0 
      0.45270270       0.04729730       0.04729730 1.0 
      0.44594595       0.05405405       0.05405405 1.0 
      0.43918919       0.06081081       0.06081081 1.0 
      0.43243243       0.06756757       0.06756757 1.0 
      0.42567568       0.07432432       0.07432432 1.0 
      0.41891892       0.08108108       0.08108108 1.0 
      0.41216216       0.08783784       0.08783784 1.0 
      0.40540541       0.09459459       0.09459459 1.0 
      0.39864865       0.10135135       0.10135135 1.0 
      0.39189189       0.10810811       0.10810811 1.0 
      0.38513514       0.11486486       0.11486486 1.0 
      0.37837838       0.12162162       0.12162162 1.0 
      0.37162162       0.12837838       0.12837838 1.0 
      0.36486486       0.13513514       0.13513514 1.0 
      0.35810811       0.14189189       0.14189189 1.0 
      0.35135135       0.14864865       0.14864865 1.0 
      0.34459459       0.15540541       0.15540541 1.0 
      0.33783784       0.16216216       0.16216216 1.0 
      0.33108108       0.16891892       0.16891892 1.0 
      0.32432432       0.17567568       0.17567568 1.0 
      0.31756757       0.18243243       0.18243243 1.0 
      0.31081081       0.18918919       0.18918919 1.0 
      0.30405405       0.19594595       0.19594595 1.0 
      0.29729730       0.20270270       0.20270270 1.0 
      0.29054054       0.20945946       0.20945946 1.0 
      0.28378378       0.21621622       0.21621622 1.0 
      0.27702703       0.22297297       0.22297297 1.0 
      0.27027027       0.22972973       0.22972973 1.0 
      0.26351351       0.23648649       0.23648649 1.0 
      0.25675676       0.24324324       0.24324324 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.11394869      -0.11394869       0.57576058 1.0 
      0.12074004      -0.12074004       0.56896922 1.0 
      0.12753139      -0.12753139       0.56217787 1.0 
      0.13432274      -0.13432274       0.55538652 1.0 
      0.14111409      -0.14111409       0.54859517 1.0 
      0.14790544      -0.14790544       0.54180382 1.0 
      0.15469679      -0.15469679       0.53501247 1.0 
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      0.16827950      -0.16827950       0.52142977 1.0 
      0.17507085      -0.17507085       0.51463841 1.0 
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      0.20223625      -0.20223625       0.48747301 1.0 
      0.20902761      -0.20902761       0.48068166 1.0 
      0.21581896      -0.21581896       0.47389031 1.0 
      0.22261031      -0.22261031       0.46709895 1.0 
      0.22940166      -0.22940166       0.46030760 1.0 
      0.23619301      -0.23619301       0.45351625 1.0 
      0.24298436      -0.24298436       0.44672490 1.0 
      0.24977571      -0.24977571       0.43993355 1.0 
      0.25656706      -0.25656706       0.43314220 1.0 
      0.26335842      -0.26335842       0.42635085 1.0 
      0.27014977      -0.27014977       0.41955950 1.0 
      0.27694112      -0.27694112       0.41276814 1.0 
      0.28373247      -0.28373247       0.40597679 1.0 
      0.29052382      -0.29052382       0.39918544 1.0 
      0.29731517      -0.29731517       0.39239409 1.0 
      0.30410652      -0.30410652       0.38560274 1.0 
      0.31089787      -0.31089787       0.37881139 1.0 
      0.31768923      -0.31768923       0.37202004 1.0 
      0.32448058      -0.32448058       0.36522869 1.0 
      0.33127193      -0.33127193       0.35843733 1.0 
      0.33806328      -0.33806328       0.35164598 1.0 
      0.34485463      -0.34485463       0.34485463 1.0 
      0.65514537       0.34485463      -0.34485463 1.0 
      0.64104124       0.35895876      -0.35895876 1.0 
      0.62693712       0.37306288      -0.37306288 1.0 
      0.61283300       0.38716700      -0.38716700 1.0 
      0.59872887       0.40127113      -0.40127113 1.0 
      0.58462475       0.41537525      -0.41537525 1.0 
      0.57052062       0.42947938      -0.42947938 1.0 
      0.55641650       0.44358350      -0.44358350 1.0 
      0.54231237       0.45768763      -0.45768763 1.0 
      0.52820825       0.47179175      -0.47179175 1.0 
      0.51410412       0.48589588      -0.48589588 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 

