&control
    calculation='scf',
    restart_mode='from_scratch',
    prefix='ag-cu',
    pseudo_dir = '/u/cm/nnlinh/work/pseudo',
    outdir='/lustre/nnlinh/NEB/100_surface/OXAM-EO'
    forc_conv_thr = 5.0d-4
    nstep = 1000,
    tprnfor=.true.
/
&system                                                    
 ibrav = 6, celldm(1) = 11.12420, celldm(3) = 2.80,         
 nat= 12, ntyp= 1,                                         
 ecutwfc = 30, ecutrho=300,                                
 occupations='smearing', smearing='mv', degauss=0.03
/                                                          
&electrons                                                 
    conv_thr =  1.0d-7,                                    
    mixing_mode = 'local-TF',                              
    mixing_beta = 0.3,                                     
/                                                          
&ions                                                      
/                                                          
ATOMIC_SPECIES
Ag 107.8682 Ag.pbe-d-rrkjus.UPF                                             
ATOMIC_POSITIONS (angstrom)                                           
Ag    0.0000000000    0.0000000000    0.0000000000 0 0 0
Ag    2.9433365520    0.0000000000    0.0000000000 0 0 0
Ag    0.0000000000    2.9433365520    0.0000000000 0 0 0
Ag    2.9433365520    2.9433365520    0.0000000000 0 0 0
Ag    1.4891740070    1.4899000700    2.0645136760
Ag    4.4185698630    1.4895086820    2.0384779040
Ag    1.4812214010    4.4008474470    2.0352244540
Ag    4.4176969960    4.4066052290    2.0326033190
Ag    0.0003835240    0.0048193680    3.9910418790
Ag    2.9910816960    0.0290811330    4.1050431160
Ag   -0.0286194230    2.9764076900    4.2045472010
Ag    2.9431115030    2.9416456370    4.1520500580
K_POINTS AUTOMATIC
4 4 1 1 1 0

