! Pwscf input file created with ciftopw.py 
! Compound: Tl2SiS3
&control
         calculation     = 'bands'
         prefix          = 'Tl2SiS3'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           12.5572291969049985
         celldm(2)       =            1.0081264108352148
         celldm(3)       =            1.2610985703536497
         celldm(4)       =           -0.3746065934159121
         celldm(5)       =           -0.0055850245708283
         celldm(6)       =           -0.3797790955218010
         nat             =       12
         ntyp            =        3
         ecutwfc         =       45.00000000
         ecutrho         =      211.00000000
         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
 S  32.0650 S.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Tl 204.3833 Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF 
Si  28.0855 Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
213
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