Hi Tao, I've been read this slide. The jdos data give by wien2k have 3 columns: the first is energy, the second is labelled as "JDOS", and the third is labelled as "JDOS/E^2". What I plot is the second column, and the figure in the slide uses the third column. There are consistent.
Best wishes Liu Gui-Bin ? 2011/7/11 22:54, Tao Sun ??: > Hi Gui-Bin, > > Here is reference calculation of the dielectric functions of Au > online, > http://www.mri.psu.edu/conferences/WIEN/ProgramFiles/2009-06-WIEN2k-Optics-Sofo.pdf. > > The reported jdos differ completely from all of your jdos, while the > final dielectric functions seem to be similar to yours. Maybe it is > due to a different definition? > > Best wishes. > > Tao > > Postdoc, CEMS. UMN. > > On Mon, Jul 11, 2011 at 4:36 AM, gbliu<goodluck_1982 at 163.com> wrote: >> Hi Tao, >> >> Attachments are the jdos for the three cases. >> But I'm not aware of how to analyze them. >> And it's strange that the two cases of pwscf are similar, but differ in >> magnitude far from the wien2k result. However, their shape are similar. >> What information can you get from the jdos's? >> >> Best regards, >> Liu Gui-Bin >> > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum
