! Pwscf input file created with pymatgen.py 
! Compound: Sn2IF3
&control
         calculation     = 'scf'
         prefix          = 'Sn2IF3'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           13.4093884615836618
         celldm(2)       =            1.0000000000000002
         celldm(3)       =            1.3162450165289277
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =           -0.8102807737931318
         nat             =       12
         ntyp            =        3
         ecutwfc         =       54.00000000
         ecutrho         =      317.00000000
         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
 F  18.9984 F.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Sn 118.7100 Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF 
 I 126.9045 I_MT_PBE_v_3_oleg_edit.UPF 
ATOMIC_POSITIONS crystal
K_POINTS automatic
7 7 3 0 0 0