[Pw_forum] saw like potential

[vinoth r]

dear all,
            with this mail i attached my input file for saw like potential
perpendicular to BN layer.could you help me whether i applied 1.4v(saw like
potential) perpendicular to axis.


thank you
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20110317/c5b9df3c/attachment.html>
-------------- next part --------------
 &CONTROL
                 calculation = 'relax' ,
                restart_mode = 'from_scratch' ,
                      outdir = '/home/vino/work/' ,
                      wfcdir = '/home/vino/work/' ,
                  pseudo_dir = '/home/vino/espresso-4.2.1/pseudo/' ,
                   verbosity = 'high' ,
                     tefield = .true. ,
 /
 &SYSTEM
                       ibrav = 4,
                   celldm(1) = 2.456,
                   celldm(3) = 16,
                         nat = 4,
                        ntyp = 2,
                     ecutwfc = 400 ,
                        edir = 1 ,
                     emaxpos = 0.5D ,
                      eopreg = 0.5 ,
                        eamp = 2.72256676e-12 ,
 /
 &ELECTRONS
             diagonalization = 'david' ,
 /
 &IONS
 /
ATOMIC_SPECIES
    N   14.00000  N.pz-nd-rrkjus.UPF 
    B   10.00000  B.pz-vbc.UPF 
ATOMIC_POSITIONS angstrom 
    N      0.000000000    0.000000000    4.560000000    
    B      1.230600000    0.710501000    4.560000000    
    B      0.000000000    0.000000000    8.000000000    
    N      1.230600000    0.710501000    8.000000000    
K_POINTS automatic 
  36 36 1   0 0 0