Hi Tao, I'm clear now that the "plasmon frequency" given by eplilon.x is just caculated from the sum rule int_0^inf w*Im[epsilon(w)] dw = pi/2 * omeag_p^2
I calculated and compared the DOS, they should be good. See attachments. Now that the band structure is ok, the DOS should be ok, I think. Best regards. Liu Gui-Bin ? 2011/7/11 0:36, Tao Sun ??: > Hi Guibin, > > As far as I understand, the imaginary part of epsilon is closely > related to the joint density of the states of the valence and > conduction band electrons. If LAPW and pseudo really give the same > band structure, they should give the same jdos, even the actual wave > functions are different. > > It is a bit unthinkable to me that the previous pseudopotential can > give the correct band structure, while its jdos is so off the mark. > Something must be wrong. Have you compared the DOS calculated by > LAPW and pseudo, or a dispersion along a less symmetric direction? > Are they really the same? > > These questions may not really help you much... I am just curious. > > Best wishes. > > Tao > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum -------------- next part -------------- A non-text attachment was scrubbed... Name: dos_fhi.png Type: image/png Size: 45909 bytes Desc: not available Url : http://www.democritos.it/pipermail/pw_forum/attachments/20110711/845ffc03/attachment-0002.png -------------- next part -------------- A non-text attachment was scrubbed... Name: dos_qso.png Type: image/png Size: 47829 bytes Desc: not available Url : http://www.democritos.it/pipermail/pw_forum/attachments/20110711/845ffc03/attachment-0003.png
