&control
    calculation='scf'
    tprnfor=.true.
    outdir='./',
    pseudo_dir='/home/nandha/PP/MgO/.'
    nstep =200
    wf_collect=.true.
    prefix='save'
/
&system
    ibrav=0,
    nat=129,ntyp=3,
    ecutwfc=35.0,
    ecutrho=400,
    occupations='smearing', 
    smearing='mv',
    degauss=0.002,
    starting_magnetization(3)=1.0,
    nspin=2,
/
&electrons
    mixing_mode = 'local-TF'
    mixing_beta = 0.2
    conv_thr =  1.0d-12
    electron_maxstep=250
/
&ions
    ion_dynamics= 'bfgs'
/
ATOMIC_SPECIES
Mg  24.305     Mg.pbe-n-rrkjus.UPF
O   15.999     O.pbe-rrkjus.UPF
Pd  106.42    Pd.pbe-rrkjus.UPF             

ATOMIC_POSITIONS {angstrom} 
Mg       0.750000000   0.750000000   0.000000000    0   0   0
Mg       0.750000000   3.755725360   0.000000000    0   0   0
Mg       0.750000000   6.761450720   0.000000000    0   0   0
Mg       0.750000000   9.767176080   0.000000000    0   0   0
Mg       3.755725360   0.750000000   0.000000000    0   0   0
Mg       3.755725360   3.755725360   0.000000000    0   0   0
Mg       3.755725360   6.761450720   0.000000000    0   0   0
Mg       3.755725360   9.767176080   0.000000000    0   0   0
Mg       6.761450720   0.750000000   0.000000000    0   0   0
Mg       6.761450720   3.755725360   0.000000000    0   0   0
Mg       6.761450720   6.761450720   0.000000000    0   0   0
Mg       6.761450720   9.767176080   0.000000000    0   0   0
Mg       9.767176080   0.750000000   0.000000000    0   0   0
Mg       9.767176080   3.755725360   0.000000000    0   0   0
Mg       9.767176080   6.761450720   0.000000000    0   0   0
Mg       9.767176080   9.767176080   0.000000000    0   0   0
Mg       2.252862680   2.252862680   2.125001153    0   0   0
Mg       2.252862680   5.258588040   2.125001153    0   0   0
Mg       2.252862680   8.264313400   2.125001153    0   0   0
Mg       2.252862680  11.270038760   2.125001153    0   0   0
Mg       5.258588040   2.252862680   2.125001153    0   0   0
Mg       5.258588040   5.258588040   2.125001153    0   0   0
Mg       5.258588040   8.264313400   2.125001153    0   0   0
Mg       5.258588040  11.270038760   2.125001153    0   0   0
Mg       8.264313400   2.252862680   2.125001153    0   0   0
Mg       8.264313400   5.258588040   2.125001153    0   0   0
Mg       8.264313400   8.264313400   2.125001153    0   0   0
Mg       8.264313400  11.270038760   2.125001153    0   0   0
Mg      11.270038760   2.252862680   2.125001153    0   0   0
Mg      11.270038760   5.258588040   2.125001153    0   0   0
Mg      11.270038760   8.264313400   2.125001153    0   0   0
Mg      11.270038760  11.270038760   2.125001153    0   0   0
O        2.252862680   2.252862680   0.000000000    0   0   0
O        2.252862680   5.258588040   0.000000000    0   0   0
O        2.252862680   8.264313400   0.000000000    0   0   0
O        2.252862680  11.270038760   0.000000000    0   0   0
O        5.258588040   2.252862680   0.000000000    0   0   0
O        5.258588040   5.258588040   0.000000000    0   0   0
O        5.258588040   8.264313400   0.000000000    0   0   0
O        5.258588040  11.270038760   0.000000000    0   0   0
O        8.264313400   2.252862680   0.000000000    0   0   0
O        8.264313400   5.258588040   0.000000000    0   0   0
O        8.264313400   8.264313400   0.000000000    0   0   0
O        8.264313400  11.270038760   0.000000000    0   0   0
O       11.270038760   2.252862680   0.000000000    0   0   0
O       11.270038760   5.258588040   0.000000000    0   0   0
O       11.270038760   8.264313400   0.000000000    0   0   0
O       11.270038760  11.270038760   0.000000000    0   0   0
O        0.750000000   0.750000000   2.125001153    0   0   0
O        0.750000000   3.755725360   2.125001153    0   0   0
O        0.750000000   6.761450720   2.125001153    0   0   0
O        0.750000000   9.767176080   2.125001153    0   0   0
O        3.755725360   0.750000000   2.125001153    0   0   0
O        3.755725360   3.755725360   2.125001153    0   0   0
O        3.755725360   6.761450720   2.125001153    0   0   0
O        3.755725360   9.767176080   2.125001153    0   0   0
O        6.761450720   0.750000000   2.125001153    0   0   0
O        6.761450720   3.755725360   2.125001153    0   0   0
O        6.761450720   6.761450720   2.125001153    0   0   0
O        6.761450720   9.767176080   2.125001153    0   0   0
O        9.767176080   0.750000000   2.125001153    0   0   0
O        9.767176080   3.755725360   2.125001153    0   0   0
O        9.767176080   6.761450720   2.125001153    0   0   0
O        9.767176080   9.767176080   2.125001153    0   0   0
 Mg      0.7512793040    0.7501861650    4.2506846680  
 Mg      0.7507289960    3.7554052970    4.2540272950  
 Mg      0.7483787440    6.7616474800    4.2578281190  
 Mg      0.7506291190    9.7676687810    4.2540346810  
 Mg      3.7547449750    0.7502874470    4.2506508310  
 Mg      3.7554529730    3.7554912090    4.2540631260  
 Mg      3.7576736310    6.7617295530    4.2577362090  
 Mg      3.7553774230    9.7677566950    4.2540396570  
 Mg      6.7607204990    0.7501559120    4.2492139260  
 Mg      6.7584807620    3.7519310780    4.2533679970  
 Mg      6.7664464400    6.7616119290    4.2608189970  
 Mg      6.7584187480    9.7711212150    4.2534726330  
 Mg      9.7681494750    0.7501052250    4.2491079470  
 Mg      9.7706046910    3.7518601350    4.2532951930  
 Mg      9.7624489410    6.7615738800    4.2606513450  
 Mg      9.7704825510    9.7709937320    4.2535200390  
 Mg      2.2533288600    2.2530067240    6.3511258050  
 Mg      2.2533271400    5.2596529050    6.3530063050  
 Mg      2.2532323680    8.2639832430    6.3530293590  
 Mg      2.2531763830   11.2706675340    6.3511072880  
 Mg      5.2579734360    2.2487947210    6.3483041360  
 Mg      5.2501886430    5.2473085670    6.3682691240  
 Mg      5.2500351530    8.2765855010    6.3683502180  
 Mg      5.2579051970   11.2749967620    6.3482922990  
 Mg      8.2647499500    2.2404848510    6.3483782010  
 Mg      8.2645889280    5.1886405270    6.3769473820  
 Mg      8.2643805880    8.3343479750    6.3772381810  
 Mg      8.2646424490   11.2826673070    6.3486102340  
 Mg     11.2712074260    2.2485195430    6.3481390230  
 Mg     11.2792635610    5.2469523100    6.3683455920  
 Mg     11.2790860080    8.2765206960    6.3685877900  
 Mg     11.2711177220   11.2747657610    6.3482485740  
  O      2.2532138110    2.2536268640    4.2458811820  
  O      2.2532452730    5.2584604930    4.2475114810  
  O      2.2531667950    8.2648016970    4.2472921200  
  O      2.2531890390   11.2696157170    4.2461426910  
  O      5.2555056990    2.2522655580    4.2427283920  
  O      5.2630981100    5.2624666590    4.2548947010  
  O      5.2629875570    8.2607277890    4.2549018400  
  O      5.2555076090   11.2709991400    4.2427343200  
  O      8.2645664110    2.2522205510    4.2421238260  
  O      8.2647633940    5.2618191700    4.2627223020  
  O      8.2647191040    8.2611621270    4.2628125090  
  O      8.2646437610   11.2706409600    4.2425998460  
  O     11.2730897700    2.2521341740    4.2425971680  
  O     11.2655756460    5.2624789310    4.2549414800  
  O     11.2654262430    8.2605270260    4.2549939780  
  O     11.2730155440   11.2708594210    4.2427453060  
  O      0.7508042090    0.7504635000    6.3989344980  
  O      0.7531149190    3.7537602230    6.4026922910  
  O      0.7528052880    6.7619331890    6.4046998050  
  O      0.7529970070    9.7692265550    6.4027209920  
  O      3.7553903100    0.7506554420    6.3990789420  
  O      3.7537424530    3.7543224480    6.4033727650  
  O      3.7534538270    6.7620785060    6.4048520120  
  O      3.7536858520    9.7697091470    6.4035060060  
  O      6.7617079010    0.7505621650    6.3958699880  
  O      6.7521905660    3.7355133340    6.3870645520  
  O      6.7396689300    6.7621103980    6.4412391960  
  O      6.7519554960    9.7879983180    6.3873666990  
  O      9.7674276270    0.7504131180    6.3959356080  
  O      9.7776310130    3.7354321960    6.3871003840  
  O      9.7898577840    6.7619189390    6.4424618570  
  O      9.7774790460    9.7877531680    6.3879540100  
 Pd      8.2683425630    6.7611628130    8.4609520160  






CELL_PARAMETERS {cubic}
22.72 0.0 0.0
0.0 22.72 0.0
0.0 0.0  44.172344983
K_POINTS 
1
0.00000 0.00000 0.00000 1.0


