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 >
