thank your for you reply in detais , best wishes 2008/10/4 Lorenzo Paulatto <paulatto at sissa.it>
> Wei Zhou ha scritto: > > dear all users > > I feel puzzled about the number of Projectors in uspp , > how this value is determine. > > Dear Wei Zhou, > the number of projectors is chosen arbitrarily by the psudopotential > author in order to trade off accuracy and efficiency. Usually you take two > projectors per each ultrasoft wavefunction and only one for > norm-conserving ones (they can coexist in the same pseudo). > > More projectors are added only in some specific cases, as far as I know > for reproducing more accurately high-energy (normally empty) bands. > > regards > > -- > Lorenzo Paulatto > SISSA & DEMOCRITOS (Trieste) > phone: +39 040 3787 511 > skype: paulatz > www: http://people.sissa.it/~paulatto/<http://people.sissa.it/%7Epaulatto/> > > > > > ---------------------------------------------------------------- > SISSA Webmail https://webmail.sissa.it/ > Powered by SquirrelMail http://www.squirrelmail.org/ > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -- ZhouDawei JiLin Universiyt ,ChangChun ,China zdw2000 at gmail.com -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20081005/fbf38e29/attachment.htm
