All,
Reproducing some SrTiO3 data, and I used the following option in .fdf file
ExternalElectricFieldinBulk  .true.
%block ExternalElectricField
  0.000  0.000  0.010  V/Ang
%endblock ExternalElectricField
 
Then I got the following error.
 
efield: WARNING: Non zero bulk electric field.
efield: Input field (Ry/Bohr/e) =    0.000000    0.000000    0.000389
efield: Orthogonalized field    =    0.000000    0.000000    0.000000
 
Can any one let us know that how to cure this problem.
 

Responder a