thanks for your replay 2008/10/7 Prasenjit Ghosh <prasenjit.jnc at gmail.com>
> You can find the necessary details in the following links: > > http://www.quantum-espresso.org/wiki/index.php/Frequently_Asked_Questions#How_is_the_charge_density_.28the_potential.2C_etc..29_stored.3F_What_position_in_real_space_corresponds_to_an_array_value.3F > > http://www.quantum-espresso.org/wiki/index.php/Developer_Manual#File_Formats > > 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) > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -- 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/20081007/38da4ecf/attachment.htm
