Dear Kaloni, Il giorno 05/lug/2012, alle ore 13.59, Thaneshwor Kaloni ha scritto > Dear Andrea, > > >This option is not implemented. You cannot do a finite electric >field > >calculation with spin-orbit coupling. > > > I have done electric field + SOC calculation already as suggested by > Professor Gabriele Sclauzero.
Since Berry phase is not available with SOC, I suggested you to try with the sawtooth potential method. Mine was just a suggestion, I had not actually checked inside the code at that time. I wonder how you managed to do such calculation if the electric field is not implemented for nspin=4 (non collinear). In order to include SOC you need nspin=4. By the way, this forum is rather informal, you do not need to address people with titles here (moreover I'm not a professor). Regards, GS ? Gabriele Sclauzero, EPFL SB ITP CSEA PH H2 462, Station 3, CH-1015 Lausanne -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120705/5a7197ca/attachment.htm
