&CONTROL
rho_ces_rep = './empty.cube'
rho_ces_ion = './MOBILE_final.cube'
rho_ces = './empty.cube'
dft_ces = .true.
  calculation = "scf",
  pseudo_dir  = "/home/jay/programs/pseudo",
  prefix      = "solute",
  outdir      = "./solute",
  tprnfor     = .true.,
  tefield     = .true.,
  dipfield    = .true.
/
&SYSTEM
tot_charge = -1.33333
   ntyp             = 3
   nat              = 50
   ibrav            = 0
  ecutwfc     = 70.0,
  ecutrho     = 700.0,
  occupations = "smearing",
  smearing    = "gaussian",
  degauss     = 0.0147,
  emaxpos = 0.80
  eopreg = 0.01
  edir = 3
/
&ELECTRONS
  startingwfc = 'atomic'
  diagonalization = 'cg' 
  mixing_mode = 'local-TF'
  electron_maxstep = 1000
/
ATOMIC_SPECIES
 Ag 107.8682 Ag.pbe-dn-kjpaw_psl.0.1.UPF
 C 12.011 C.pbe-n-kjpaw_psl.0.1.UPF  
 O 15.999 O.pbe-n-kjpaw_psl.0.1.UPF
CELL_PARAMETERS {angstrom}
    10.15110000 0.00000000 0.0000000
    0.000000000 11.7215000 0.0000000
    0.000000000 0.00000000 50.000000
ATOMIC_POSITIONS {angstrom}
Ag       1.690767216   0.000000000   0.000000000    0   0   0
Ag       4.228542216   1.465187500   0.000000000    0   0   0
Ag       2.536658379   1.465187500   2.392750000    0   0   0
Ag       5.074433379   0.000000000   2.392750000    0   0   0
Ag       0.826452515   1.459027298   4.777088853    0   0   0
Ag       3.363931696  -0.002194315   4.777536919    0   0   0
Ag       1.690767216   2.930375000   0.000000000    0   0   0
Ag       4.228542216   4.395562500   0.000000000    0   0   0
Ag       2.536658379   4.395562500   2.392750000    0   0   0
Ag       5.074433379   2.930375000   2.392750000    0   0   0
Ag       0.797707038   4.377114587   4.752500880    0   0   0
Ag       3.364312405   2.898939652   4.755829441    0   0   0
Ag       6.766317216   0.000000000   0.000000000    0   0   0
Ag       9.304092216   1.465187500   0.000000000    0   0   0
Ag       7.612208379   1.465187500   2.392750000    0   0   0
Ag      10.149983379   0.000000000   2.392750000    0   0   0
Ag       5.902294000   1.455522438   4.775704483    0   0   0
Ag       8.440668658  -0.001417497   4.780731584    0   0   0
Ag       6.766317216   2.930375000   0.000000000    0   0   0
Ag       9.304092216   4.395562500   0.000000000    0   0   0
Ag       7.612208379   4.395562500   2.392750000    0   0   0
Ag      10.149983379   2.930375000   2.392750000    0   0   0
Ag       5.922170137   4.376749414   4.752945576    0   0   0
Ag       8.438586417   2.921209862   4.775329052    0   0   0
Ag       1.690767216   5.860750000   0.000000000    0   0   0
Ag       4.228542216   7.325937500   0.000000000    0   0   0
Ag       2.536658379   7.325937500   2.392750000    0   0   0
Ag       5.074433379   5.860750000   2.392750000    0   0   0
Ag       0.797241140   7.339985454   4.751846135    0   0   0
Ag       3.360302973   5.857327699   4.799807282    0   0   0
Ag       1.690767216   8.791125000   0.000000000    0   0   0
Ag       4.228542216  10.256312500   0.000000000    0   0   0
Ag       2.536658379  10.256312500   2.392750000    0   0   0
Ag       5.074433379   8.791125000   2.392750000    0   0   0
Ag       0.825940040  10.258696602   4.777097758    0   0   0
Ag       3.364166413   8.816797246   4.754719165    0   0   0
Ag       6.766317216   5.860750000   0.000000000    0   0   0
Ag       9.304092216   7.325937500   0.000000000    0   0   0
Ag       7.612208379   7.325937500   2.392750000    0   0   0
Ag      10.149983379   5.860750000   2.392750000    0   0   0
Ag       5.922423959   7.340203447   4.752283608    0   0   0
Ag       8.434308041   5.858497474   4.765421914    0   0   0
Ag       6.766317216   8.791125000   0.000000000    0   0   0
Ag       9.304092216  10.256312500   0.000000000    0   0   0
Ag       7.612208379  10.256312500   2.392750000    0   0   0
Ag      10.149983379   8.791125000   2.392750000    0   0   0
Ag       5.902640917  10.261867922   4.775760112    0   0   0
Ag       8.438540961   8.798555132   4.775626564    0   0   0
C        3.383753726   5.907065627   6.955494083    0   0   0
O        3.439829613   5.962029433   8.096222331    0   0   0
K_POINTS automatic
3 3 1 0 0 0
