 &CONTROL
   calculation =   "vc-relax"
 /
 &SYSTEM
   ibrav = 0 ,
   A = 3.70971016 ,
                         nat  =  2 , 
                        ntyp  =  1 , 
                     ecutwfc  =  25.0 ,
                        nbnd  =  9 , 
                 occupations  =  'smearing' ,
                    smearing  =  'mp' ,
                     degauss  =  0.005
                       nspin  =  2
   starting_magnetization(1)  =  0.1
 /
 &ELECTRONS
                    conv_thr  =  1.0d-7 
             diago_david_ndim = 4
 /
 &IONS
   ion_dynamics = 'bfgs' ,
 /
 &CELL
   cell_dynamics = 'bfgs' ,
   press = 500.00
 /
CELL_PARAMETERS alat 
    0.58012956  0.00000000  0.81452422
   -0.29006459  0.50240689  0.81452422
   -0.29006459 -0.50240689  0.81452422
ATOMIC_SPECIES
   As   74.90000  As.pz-bhs.UPF
ATOMIC_POSITIONS crystal 
As    0.290010       0.290010       0.290010
As   -0.290010      -0.290010      -0.290010
K_POINTS automatic 
  4 4 4   1 1 1 
