&CONTROL                                                                      
                     title = 'LaMnO3-Pero',                                    
               calculation = 'relax' ,                                      
               max_seconds = 84000 ,                                           
              restart_mode = 'from_scratch' ,                                  
                    outdir = './OUT1',
                pseudo_dir = '../',               
                    prefix = 'LaMnO3' ,
             etot_conv_thr = 1.0d-5 ,                                          
             forc_conv_thr = 1.0d-4 ,                                          
                   tstress = .true. ,                                          
                   tprnfor = .true. ,
		        dt = 80                              
 /                                                                             
 &SYSTEM                                                                       
                     ibrav =  0 ,
                 celldm(1) =   10.858559 ,
!                 celldm(2) =   1.314590044,
!                 celldm(3) =   0.94656220,
                       nat = 20 ,                                              
                      ntyp = 4 ,                                               
                   ecutwfc = 25 ,                                              
                   ecutrho = 250 ,                                             
                     nspin = 2,
    starting_magnetization(1)=0.0,    starting_magnetization(2)=1.0,
    starting_magnetization(3)=-1.0,   starting_magnetization(4)=0.0,
               occupations = 'smearing' ,
                  smearing = 'methfessel-paxton',                              
                 degauss = 0.01                                              
 /                                                                             
 &ELECTRONS                                                                    
               mixing_beta = 0.5 ,                                             
           diagonalization = 'david' ,                                         
            diago_thr_init = 1.D-2 ,                                           
          diago_david_ndim = 10                                                
 /                                                                             
 &IONS                                                                         
      ion_dynamics = 'damp',
 / 
 &CELL
             cell_dynamics = 'damp-w',
                     press = 0.0D0 ,
             press_conv_thr=0.5D0,
	             wmass = 0.01
/                                                                             
CELL_PARAMETERS { alat }
   0.975101064  -0.000001314  -0.000000000
  -0.000001753   1.314588291   0.000000000
  -0.000000000   0.000000000   0.946562200
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 (crystal)                                                     
La       0.045579143   0.249998211   0.990968885
La       0.454420857   0.750001789   1.490968885
La      -0.045579143   0.750001789  -0.990968885
La       0.545579143   0.249998211  -0.490968885
Mn1     -0.000000000  -0.000000000   0.500000000
Mn1      0.500000000  -0.000000000   0.000000000
Mn2      0.000000000   0.500000000   0.500000000
Mn2      0.500000000   0.500000000   0.000000000
O        0.486250384   0.249999589   0.083094672
O        0.013749616   0.750000411   0.583094672
O       -0.486250384   0.750000411  -0.083094672
O        0.986250384   0.249999589   0.416905328
O        0.295648998   0.042983948   0.721499675
O        0.204351002  -0.042983948   1.221499675
O       -0.295649015   0.542982563  -0.721492930
O        0.795649015   0.457017437  -0.221492930
O       -0.295648998  -0.042983948  -0.721499675
O        0.795648998   0.042983948  -0.221499675
O        0.295649015   0.457017437   0.721492930
O        0.204350985   0.542982563   1.221492930
K_POINTS automatic                                                             
 4  4  4  1 1 1