&CONTROL                                                                      
             calculation = 'scf' ,                                         
             restart_mode = 'from_scratch' ,                                  
             outdir = './OUT',
             pseudo_dir = '/root/bipul/espresso-4.0.1/pseudo/SnO2',
             prefix = 'SnO2',
             etot_conv_thr = 1.0d-5 ,                                          
             forc_conv_thr = 1.0d-4 ,                                          
                   tstress = .true. ,                                          
                   tprnfor = .true. ,
 /                                                                             
 &SYSTEM                                                                       
                     ibrav = 6,
                 celldm(1) = 9.04931987,
                 celldm(3) = 0.682645951,
                       nat = 6,                                                
                      ntyp = 2 ,                                               
                   ecutwfc = 32, 
!                   ecutrho = 600,                                             
                  occupations = 'fixed' ,                                                      smearing = 'methfessel-paxton',                              
 !                  degauss = 0.01                                              
 /                                                                             
 &ELECTRONS                                                                    
               mixing_beta = 0.3 ,                                             
            conv_thr =  1.0d-8
           diagonalization = 'david' ,                                         
 /                                                                             
 &IONS
     ion_dynamics = 'bfgs'
/
&CELL
     cell_dynamics = 'bfgs',
     press        = 0.0,
     wmass        = 0.002,                      
 /                           
ATOMIC_SPECIES                                                                 
 Sn   118.71    Sn.pw91-n-van.UPF
  O    15.9994   O.pw91-van_ak.UPF
ATOMIC_POSITIONS (crystal)
Sn       0.000000000   0.000000000   0.000000000    0   0   0
Sn       0.500000000   0.500000000   0.500000000    0   0   0
O        0.306537244   0.306537244   0.000000000
O       -0.306537244  -0.306537244   0.000000000
O        0.806537244   0.193462756   0.500000000
O        0.193462756   0.806537244   0.500000000
K_POINTS automatic                                                             
  8 8 8 1 1 1