! Pwscf input file created with pymatgen.py 
! Compound: Bi(BO2)3
&control
         calculation     = 'bands'
         prefix          = 'BixBO2x3'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            8.2186924366860428
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.4957882343870235
         celldm(4)       =            0.2187033304578007
         celldm(5)       =            0.2187033304578007
         celldm(6)       =            0.3478191742979865
         nat             =       10
         ntyp            =        3
         ecutwfc         =       47.00000000
         ecutrho         =      325.00000000
         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
 O  15.9994 O.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Bi 208.9804 Bi_MT_PBE.UPF 
 B  10.8110 B.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
335
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