Dear Professor, Thank you very much for prompt response. Yes, I am using version 4.3.1 and I will check and let you know with version 4.3.2. Mean time I will try to run the jobs with tefield instead of lefield and let you know.
Thank you again On Mon, Jun 25, 2012 at 4:29 PM, Gabriele Sclauzero <gabriele.sclauzero at epfl.ch> wrote: > Dear Kaloni, > > I am trying to calculate the electronic structure of silicene with > soc+electric field, > but it does not work. The scf calculation abort without showing any > error > > > Are you sure? Which version are you using? > From 4.3.2 on you should get an error message telling you that Berry phase + > noncollinear calculations have not been implemented yet. > > but nscf > calculation running well. > > > This does not mean that the nscf results are correct. > The previous scf calculation must have been completed without any error to > ensure this. > > Since your system is two-dimensional, you can add an external electric field > (perpendicular to the surface) using the sawtooth potential (tefield instead > of lefield). > > > GS > > ? Gabriele Sclauzero,?EPFL SB ITP CSEA > ?? PH H2 462, Station 3,?CH-1015 Lausanne > > > > > > > -- Best regards, Kaloni Web page: http://sa.linkedin.com/pub/thaneshwor-kaloni/18/955/238
