> > Thanks for your replay ,but there may be an error > >> >> >> >> evc(i,ibnd): ibnd is the band index, i is the index of plane waves >> for the noncolinear case: >> i=1,npw are plane waves with up spin (polarization 1) >> i=npwx+1,npwx+npw are PW with down spin (polarization 2) >> npw depends on the k-point, npwx is the maximum npw > > i=npw+1 ,npw+npw are the PW with down spin polorization > because the file leading dimension of evc is npwx , is this the correct > understanding? > > > > ** > >
-- 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 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20081007/c6574d87/attachment.htm
