! Pwscf input file created with pymatgen.py 
! Compound: ICl3
&control
         calculation     = 'scf'
         prefix          = 'ICl3'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           10.3556984197200013
         celldm(2)       =            1.0419708029197079
         celldm(3)       =            1.5315485615123863
         celldm(4)       =            0.3072790751870629
         celldm(5)       =            0.1946324052340439
         celldm(6)       =            0.1593643024595433
         nat             =        8
         ntyp            =        2
         ecutwfc         =       46.00000000
         ecutrho         =      224.00000000
         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
Cl  35.4530 Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
 I 126.9045 I.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS automatic
4 4 3 0 0 0