On 09/12/2010 08:11 PM, B. Koa wrote: > Dear PWScf Users > > It seems that "dosup" and "pdosup" which are in the pdos_tot file must > be equal and really they are equal in many cases. But in some cases > they differ a very bit with each other. I think that the origin of > this very small difference is only the numerical procedure and not any > physical one. Am I correct ?
I don't think your statement is correct. DOS (density of states) and PDOS (projected DOS) are not the same quantity (otherwise why should one give them distinct names?). Please spend some time in searching their respective definitions (on textbooks, in the forum archives, or even looking at the code itself). Regards, GS > > Many Thanks > B. Koa > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -- Gabriele Sclauzero, EPFL SB ITP CSEA PH H2 462, Station 3, CH-1015 Lausanne -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100922/85635e33/attachment.htm
