&control                                                                                              
    calculation='relax'
    restart_mode='restart',
    prefix='ag',
    pseudo_dir = '/gpfs/scratch/usersissa/sists016//pseudo',
    outdir='/gpfs/scratch/usersissa/sists016//TMP/111_surface/CuO_111/PHYS-AC'
    forc_conv_thr = 5.0d-4                                                                            
    nstep = 1000,                                                                                     
    tprnfor=.true.  
/
&system                                                    
 ibrav = 4, celldm(1) = 11.12420, celldm(3) = 3.6,         
 nat= 12, ntyp= 1,                                         
 ecutwfc = 27, ecutrho=216,                                
 occupations='smearing', smearing='mv', degauss=0.03
/                                                          
&electrons                                                 
    conv_thr =  1.0d-7,                                    
    mixing_mode = 'local-TF',                              
    mixing_beta = 0.3,                                     
/                                                          
&ions                                                      
    pot_extrapolation = "second_order",                    
    wfc_extrapolation = "second_order",                    
/                                                          
ATOMIC_SPECIES
Ag 107.8682 Ag.pbe-d-rrkjus.UPF                                             
ATOMIC_POSITIONS (angstrom)                                           
Ag    1.4716680000    0.8496680000    3.7262220000 0 0 0
Ag    0.0000000000    3.3986710000    3.7262220000 0 0 0
Ag    4.4150030000    0.8496680000    3.7262220000 0 0 0
Ag    2.9433350000    3.3986710000    3.7262220000 0 0 0
Ag    2.9452940000    1.6954500000    6.0737110000 
Ag    1.4739260000    4.2715110000    6.1289860000
Ag    5.8891490000    1.6955110000    6.0735100000
Ag    4.4173260000    4.2717920000    6.1282220000
Ag    0.0038740000   -0.0109360000    8.5928210000
Ag   -1.4683810000    2.5415090000    8.3672940000
Ag    2.9466860000   -0.0108040000    8.5933430000
Ag    1.4747950000    2.5414740000    8.3702950000
K_POINTS AUTOMATIC
4 4 1 1 1 0