! Pwscf input file created with ciftopw.py 
! Compound: CdH6C2I2(NO)2
&control
         calculation     = 'scf'
         prefix          = 'CdH6C2I2xNOx2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            7.8971649080310007
         celldm(2)       =            1.8284278535534815
         celldm(3)       =            1.9688920794448430
         celldm(4)       =           -0.4287774651197913
         celldm(5)       =           -0.0935870254164707
         celldm(6)       =           -0.0605259090319994
         nat             =       15
         ntyp            =        6
         ecutwfc         =       47.00000000
         ecutrho         =      639.00000000
         occupations     =  'smearing'  
         smearing        =  'f-d' 
         degauss         =        1.00000000e-03  
         noncolin        =  .true. 
         lspinorb        =  .true. 
/
&electrons
         conv_thr        =        1.00000000e-08 
         mixing_beta     =        7.00000000e-01    
   /
ATOMIC_SPECIES
 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 
 N  14.0067 N.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
 O  15.9994 O.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Cd 112.4110 Cd.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
5 3 3 0 0 0