! Pwscf input file created with ciftopw.py 
! Compound: Pd(SeCl3)2
&control
         calculation     = 'bands'
         prefix          = 'PdxSeCl3x2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           17.5338376857601901
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            0.7596048856599505
         celldm(4)       =            0.1564319962140427
         celldm(5)       =            0.1564319962140427
         celldm(6)       =            0.5852084354676109
         nat             =       18
         ntyp            =        3
         ecutwfc         =       59.00000000
         ecutrho         =      545.00000000
         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
Cl  35.4530 Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Se  78.9600 Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Pd 106.4200 Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
198
      0.00000000       0.00000000       0.00000000 1.0 
      0.02500000       0.02500000       0.00000000 1.0 
      0.05000000       0.05000000       0.00000000 1.0 
      0.07500000       0.07500000       0.00000000 1.0 
      0.10000000       0.10000000       0.00000000 1.0 
      0.12500000       0.12500000       0.00000000 1.0 
      0.15000000       0.15000000       0.00000000 1.0 
      0.17500000       0.17500000       0.00000000 1.0 
      0.20000000       0.20000000       0.00000000 1.0 
      0.22500000       0.22500000       0.00000000 1.0 
      0.25000000       0.25000000       0.00000000 1.0 
      0.27500000       0.27500000       0.00000000 1.0 
      0.30000000       0.30000000       0.00000000 1.0 
      0.32500000       0.32500000      -0.00000000 1.0 
      0.35000000       0.35000000       0.00000000 1.0 
      0.37500000       0.37500000       0.00000000 1.0 
      0.40000000       0.40000000       0.00000000 1.0 
      0.42500000       0.42500000       0.00000000 1.0 
      0.45000000       0.45000000       0.00000000 1.0 
      0.47500000       0.47500000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50451604       0.50451604       0.02192906 1.0 
      0.50903208       0.50903208       0.04385813 1.0 
      0.51354812       0.51354812       0.06578719 1.0 
      0.51806417       0.51806417       0.08771625 1.0 
      0.52258021       0.52258021       0.10964532 1.0 
      0.52709625       0.52709625       0.13157438 1.0 
      0.53161229       0.53161229       0.15350344 1.0 
      0.53612833       0.53612833       0.17543251 1.0 
      0.54064437       0.54064437       0.19736157 1.0 
      0.54516041       0.54516041       0.21929063 1.0 
      0.54967646       0.54967646       0.24121970 1.0 
      0.55419250       0.55419250       0.26314876 1.0 
      0.55870854       0.55870854       0.28507782 1.0 
      0.56322458       0.56322458       0.30700689 1.0 
      0.56774062       0.56774062       0.32893595 1.0 
      0.57225666       0.57225666       0.35086501 1.0 
      0.57677271       0.57677271       0.37279408 1.0 
      0.58128875       0.58128875       0.39472314 1.0 
      0.58580479       0.58580479       0.41665221 1.0 
      0.59032083       0.59032083       0.43858127 1.0 
      0.59032083       0.59032083       0.43858127 1.0 
      0.57225666       0.57225666       0.45086501 1.0 
      0.55419250       0.55419250       0.46314876 1.0 
      0.53612833       0.53612833       0.47543251 1.0 
      0.51806417       0.51806417       0.48771625 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.51314386       0.48685614       0.50000000 1.0 
      0.52628772       0.47371228       0.50000000 1.0 
      0.53943158       0.46056842       0.50000000 1.0 
      0.55257544       0.44742456       0.50000000 1.0 
      0.56571930       0.43428070       0.50000000 1.0 
      0.57886316       0.42113684       0.50000000 1.0 
      0.59200702       0.40799298       0.50000000 1.0 
      0.60515088       0.39484912       0.50000000 1.0 
      0.61829474       0.38170526       0.50000000 1.0 
      0.63143860       0.36856140       0.50000000 1.0 
      0.64458246       0.35541754       0.50000000 1.0 
      0.65772632       0.34227368       0.50000000 1.0 
      0.67087017       0.32912983       0.50000000 1.0 
      0.68401403       0.31598597       0.50000000 1.0 
      0.69715789       0.30284211       0.50000000 1.0 
      0.71030175       0.28969825       0.50000000 1.0 
      0.28969825      -0.28969825       0.50000000 1.0 
      0.27653014      -0.27653014       0.50000000 1.0 
      0.26336204      -0.26336204       0.50000000 1.0 
      0.25019394      -0.25019394       0.50000000 1.0 
      0.23702584      -0.23702584       0.50000000 1.0 
      0.22385774      -0.22385774       0.50000000 1.0 
      0.21068963      -0.21068963       0.50000000 1.0 
      0.19752153      -0.19752153       0.50000000 1.0 
      0.18435343      -0.18435343       0.50000000 1.0 
      0.17118533      -0.17118533       0.50000000 1.0 
      0.15801723      -0.15801723       0.50000000 1.0 
      0.14484912      -0.14484912       0.50000000 1.0 
      0.13168102      -0.13168102       0.50000000 1.0 
      0.11851292      -0.11851292       0.50000000 1.0 
      0.10534482      -0.10534482       0.50000000 1.0 
      0.09217671      -0.09217671       0.50000000 1.0 
      0.07900861      -0.07900861       0.50000000 1.0 
      0.06584051      -0.06584051       0.50000000 1.0 
      0.05267241      -0.05267241       0.50000000 1.0 
      0.03950431      -0.03950431       0.50000000 1.0 
      0.02633620      -0.02633620       0.50000000 1.0 
      0.01316810      -0.01316810       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.02560495       0.02560495       0.50383867 1.0 
      0.05120990       0.05120990       0.50767734 1.0 
      0.07681484       0.07681484       0.51151601 1.0 
      0.10241979       0.10241979       0.51535468 1.0 
      0.12802474       0.12802474       0.51919335 1.0 
      0.15362969       0.15362969       0.52303202 1.0 
      0.17923464       0.17923464       0.52687069 1.0 
      0.20483959       0.20483959       0.53070937 1.0 
      0.23044453       0.23044453       0.53454804 1.0 
      0.25604948       0.25604948       0.53838671 1.0 
      0.28165443       0.28165443       0.54222538 1.0 
      0.30725938       0.30725938       0.54606405 1.0 
      0.33286433       0.33286433       0.54990272 1.0 
      0.35846927       0.35846927       0.55374139 1.0 
      0.38407422       0.38407422       0.55758006 1.0 
      0.40967917       0.40967917       0.56141873 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.51303572       0.48696428       0.00000000 1.0 
      0.52607144       0.47392856       0.00000000 1.0 
      0.53910716       0.46089284       0.00000000 1.0 
      0.55214288       0.44785712       0.00000000 1.0 
      0.56517859       0.43482141       0.00000000 1.0 
      0.57821431       0.42178569       0.00000000 1.0 
      0.59125003       0.40874997       0.00000000 1.0 
      0.60428575       0.39571425       0.00000000 1.0 
      0.61732147       0.38267853       0.00000000 1.0 
      0.63035719       0.36964281       0.00000000 1.0 
      0.64339291       0.35660709       0.00000000 1.0 
      0.65642863       0.34357137       0.00000000 1.0 
      0.66946434       0.33053566       0.00000000 1.0 
      0.68250006       0.31749994       0.00000000 1.0 
      0.31749994      -0.31749994       0.00000000 1.0 
      0.30427077      -0.30427077       0.00000000 1.0 
      0.29104161      -0.29104161       0.00000000 1.0 
      0.27781244      -0.27781244       0.00000000 1.0 
      0.26458328      -0.26458328       0.00000000 1.0 
      0.25135412      -0.25135412       0.00000000 1.0 
      0.23812495      -0.23812495       0.00000000 1.0 
      0.22489579      -0.22489579       0.00000000 1.0 
      0.21166662      -0.21166662       0.00000000 1.0 
      0.19843746      -0.19843746       0.00000000 1.0 
      0.18520830      -0.18520830       0.00000000 1.0 
      0.17197913      -0.17197913       0.00000000 1.0 
      0.15874997      -0.15874997       0.00000000 1.0 
      0.14552080      -0.14552080       0.00000000 1.0 
      0.13229164      -0.13229164       0.00000000 1.0 
      0.11906248      -0.11906248       0.00000000 1.0 
      0.10583331      -0.10583331       0.00000000 1.0 
      0.09260415      -0.09260415       0.00000000 1.0 
      0.07937498      -0.07937498       0.00000000 1.0 
      0.06614582      -0.06614582       0.00000000 1.0 
      0.05291666      -0.05291666       0.00000000 1.0 
      0.03968749      -0.03968749       0.00000000 1.0 
      0.02645833      -0.02645833       0.00000000 1.0 
      0.01322916      -0.01322916       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.02380952       0.00000000       0.00000000 1.0 
      0.04761905       0.00000000       0.00000000 1.0 
      0.07142857       0.00000000      -0.00000000 1.0 
      0.09523810       0.00000000       0.00000000 1.0 
      0.11904762       0.00000000       0.00000000 1.0 
      0.14285714       0.00000000      -0.00000000 1.0 
      0.16666667      -0.00000000      -0.00000000 1.0 
      0.19047619       0.00000000       0.00000000 1.0 
      0.21428571       0.00000000      -0.00000000 1.0 
      0.23809524       0.00000000       0.00000000 1.0 
      0.26190476       0.00000000       0.00000000 1.0 
      0.28571429       0.00000000      -0.00000000 1.0 
      0.30952381       0.00000000       0.00000000 1.0 
      0.33333333      -0.00000000      -0.00000000 1.0 
      0.35714286       0.00000000      -0.00000000 1.0 
      0.38095238       0.00000000       0.00000000 1.0 
      0.40476190       0.00000000       0.00000000 1.0 
      0.42857143       0.00000000      -0.00000000 1.0 
      0.45238095       0.00000000       0.00000000 1.0 
      0.47619048       0.00000000       0.00000000 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.48333333       0.00000000       0.48333333 1.0 
      0.46666667       0.00000000       0.46666667 1.0 
      0.45000000       0.00000000       0.45000000 1.0 
      0.43333333       0.00000000       0.43333333 1.0 
      0.41666667       0.00000000       0.41666667 1.0 
      0.40000000       0.00000000       0.40000000 1.0 
      0.38333333       0.00000000       0.38333333 1.0 
      0.36666667       0.00000000       0.36666667 1.0 
      0.35000000       0.00000000       0.35000000 1.0 
      0.33333333       0.00000000       0.33333333 1.0 
      0.31666667       0.00000000       0.31666667 1.0 
      0.30000000       0.00000000       0.30000000 1.0 
      0.28333333       0.00000000       0.28333333 1.0 
      0.26666667       0.00000000       0.26666667 1.0 
      0.25000000       0.00000000       0.25000000 1.0 
      0.23333333       0.00000000       0.23333333 1.0 
      0.21666667       0.00000000       0.21666667 1.0 
      0.20000000       0.00000000       0.20000000 1.0 
      0.18333333       0.00000000       0.18333333 1.0 
      0.16666667       0.00000000       0.16666667 1.0 
      0.15000000       0.00000000       0.15000000 1.0 
      0.13333333       0.00000000       0.13333333 1.0 
      0.11666667       0.00000000       0.11666667 1.0 
      0.10000000      -0.00000000       0.10000000 1.0 
      0.08333333      -0.00000000       0.08333333 1.0 
      0.06666667       0.00000000       0.06666667 1.0 
      0.05000000      -0.00000000       0.05000000 1.0 
      0.03333333       0.00000000       0.03333333 1.0 
      0.01666667      -0.00000000       0.01666667 1.0 
      0.00000000       0.00000000       0.00000000 1.0 

