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Prasenjit. 2008/10/7 yumin qian <yuminqian at gmail.com> > I need to write a small program to do some post -process calcualtion , > and I need to read in the wave function and charge density , But I > don't know the data structure of the wave function evc(npwx,nbnd) or > evc(npwx*npol,nbnd) in noncolinear case ,In LSDA case what about the > spin part of wavefunction ?and what is the mean of npol ( > number of coordinates of wfc) ? > thank you > > > > > -- > Sincerely Y. M. Qian > Lab.of Condensed Matter Theory and Materials Computation > Institute of Physics > Chinese Academy of Sciences > Tel: + 8610 8264 9147 > E-Mail:yuminqian at gmail.com <E-Mail%3Ayuminqian at gmail.com> > P.O.Box 603 Beijing 100190 > China > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -- PRASENJIT GHOSH, POST-DOC, ROOM NO: 265, MAIN BUILDING, CM SECTION, ICTP, STRADA COSTERIA 11, TRIESTE, 34104, ITALY PHONE: +39 040 2240 369 (O) +39 3807528672 (M) -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20081007/4b190e0e/attachment.htm
