Dear Paolo, plotting the fermi surface for the shifted energy would be the last stage...
> On Dec 21, 2009, at 15:04 , Nicki Frank Hinsche wrote: > >> I just want to know whether and how it is possible to shift the Fermi >> energy before constructing the Fermi surface?! > > In order to plot it, or in order to do something else? > > P. > --- > Paolo Giannozzi, Dept of Physics, University of Udine > via delle Scienze 208, 33100 Udine, Italy > Phone +39-0432-558216, fax +39-0432-558222 Dear Haruhiko, I've tried this out but the the fermi surface was 'invisible' as I would have expected for the non shifted Fermi energy right in the gap. But I'll try on this again... thanks a lot on both of you Nicki > Hi Nicki. > > I think you can do it with manipulating input file " input_FS " > which is > read in running "bands_FS.x", after scf and nscf calculation, as below > strategy. > > #-- input_FS--- > nband_min nband_max > EF <----- YOU change this value > title > ..... > ..... > #---------------- > > and you run > > bands_FS.x < Bands_SP.out , > > then you can see the information about Fermi-surface and modified the > Fermi level you input. > > > Best Regards > Haruhiko Dekura ------------------------------------------------------------- Nicki Frank Hinsche, Dipl. Phys. Institut f?r Physik - Theoretische Physik, Martin-Luther-Universit?t Halle-Wittenberg, Von-Seckendorff-Platz 1, Raum 1.07 D-06120 Halle/Saale, Germany Tel.: ++49 345 5525460 -------------------------------------------------------------
