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 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20081007/4a078f12/attachment.htm
