! Pwscf input file created with ciftopw.py 
! Compound: Cs2NbAgSe4
&control
         calculation     = 'scf'
         prefix          = 'Cs2NbAgSe4'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           27.4990882723380032
         celldm(2)       =            0.8926239222676264
         celldm(3)       =            0.5397876852650559
         celldm(4)       =            0.0914728091630981
         celldm(5)       =            0.4581368675690534
         celldm(6)       =            0.8432480263447858
         nat             =       16
         ntyp            =        4
         ecutwfc         =       80.00000000
         ecutrho         =      320.00000000
         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
Nb  92.9064 Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
Se  78.9600 Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Ag 107.8682 Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Cs 132.9055 Cs.rel-pbe-oncvpsp.UPF 
ATOMIC_POSITIONS crystal
K_POINTS automatic
5 5 5 0 0 0 

