Dear Michael, Siesta has converted the units of electric field from V/Ang (your input) to atomic units (Ry/Bohr/e). Simply double-check that this corresponds to the same value.
Regards, Ulrich. ----- Original Message ----- From: Michael Shin [mailto:[email protected]] To: Self-Consistent DFT LCAO program http://www.uam.es/siestaSiesta [mailto:[email protected]] Sent: Sun, 20 May 2012 10:31:30 +0200 Subject: Re: [SIESTA-L] External E field > 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. > --- Max-Planck-Institut für Eisenforschung GmbH Max-Planck-Straße 1 D-40237 Düsseldorf Handelsregister B 2533 Amtsgericht Düsseldorf Geschäftsführung Prof. Dr. Jörg Neugebauer Prof. Dr. Dierk Raabe Prof. Dr. Martin Stratmann Dr. Kai de Weldige Ust.-Id.-Nr.: DE 11 93 58 514 Steuernummer: 105 5891 1000 -------------------------------------------------
