! Pwscf input file created with ciftopw.py 
! Compound: H2C2O
&control
         calculation     = 'bands'
         prefix          = 'H2C2O'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            9.4781096704284007
         celldm(2)       =            1.3809314937395325
         celldm(3)       =            1.4123135816253287
         celldm(4)       =           -0.3900241163631777
         celldm(5)       =           -0.1258007426694451
         celldm(6)       =           -0.2988409300717945
         nat             =       20
         ntyp            =        3
         ecutwfc         =       47.00000000
         ecutrho         =      327.00000000
         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 
 H   1.0079 H.rel-pbe-rrkjus_psl.1.0.0.UPF 
 C  12.0107 C.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
242
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