&CONTROL
                     title = 'LaMnO3',
               calculation = 'vc-relax' ,
               max_seconds = 34000 ,
              restart_mode = 'from_scratch' ,
                     prefix='lamno',
                pseudo_dir = './',
                     outdir='./OUT',
             etot_conv_thr = 1.0d-5 ,
             forc_conv_thr = 1.0d-4 ,
                   tstress = .true. ,
                   tprnfor = .true. ,
                        dt = 80
 /
 &SYSTEM
                     ibrav = 0,
                 celldm(1) = 14.62476638 ,
                       nat = 20,
                      ntyp = 4 ,
                   ecutwfc = 30 ,
                   ecutrho = 250 ,
                     nspin = 2,
    starting_magnetization(1)=0.0,    starting_magnetization(2)=5.0,
    starting_magnetization(3)=-5.0,   starting_magnetization(4)=0.0,
               occupations = 'fixed' ,
!                  smearing = 'methfessel-paxton',
!                   degauss = 0.01
 /
 &ELECTRONS
               mixing_beta = 0.5 ,
           diagonalization = 'david' ,
            diago_thr_init = 1.D-2 ,
          diago_david_ndim = 10
 /
 &IONS
 /
 &CELL
             cell_dynamics = 'damp-w' ,
                     press = 10.0D0 ,
                     wmass = 0.01
 /
CELL_PARAMETERS cubic
  0.73727   0.00000   0.00000
  0.00000   1.00000   0.00000
  0.00000   0.00000   0.71933
ATOMIC_SPECIES
  La   138.9055    La.pbe-nsp-van.UPF
  Mn1   54.938049  Mn.pbe-sp-van.UPF
  Mn2   54.938049  Mn.pbe-sp-van.UPF
  O     15.9994    O.pbe-van_ak.UPF
ATOMIC_POSITIONS {angstrom}
La       0.291764779   1.934767970   5.512190654
La       2.561205875   5.804325232   2.728728575
La       5.414115875   5.804325232   0.054741425
La       3.144654779   1.934767970   2.838269346
Mn1      0.000024815  -0.000015369   2.783457082
Mn1      2.852924815  -0.000005369   0.000012918
Mn2      0.000030056   3.869545492   2.783456915
Mn2      2.852930056   3.869545492   0.000013085
O        2.754983260   1.934809773   0.483409235
O        0.097991733   5.804281788   3.266840078
O        2.950891733   5.804281788   5.083579922
O        5.607863260   1.934809773   2.300100765
O        1.735839217   0.348210419   4.023399539
O        1.117139307   7.390893667   1.239881289
O        3.969975950   4.217821904   1.543602511
O        4.588785006   3.521289124   4.327085008
O        3.970029307   7.390873667   1.543578711
O        4.588729217   0.348200419   4.327060461
O        1.735895006   3.521279124   4.023374992
O        1.117085950   4.217811904   1.239857489
K_POINTS {automatic}
4 4 4 0 0 0