---------- ?????? ---------- ????"wangqj1 <wangqj1 at 126.com>" ?????2009-07-22 12:42:56 ????pw_forum <pw_forum at pwscf.org> ??? about U
Dear pwscf users I want to compute the value of U,in the paper PRB 71, 035105 (2005),the Eq.(18),(19),but I don't know how to construct the response matrices. matrices \chi and \chi_0,I want to construct the matrices manually instead of programe pack like the example. And how do I extract the the date from the out file of unperturbed self-consistent calculation and the files of perturbed calculations(like pert-0.1.out ,pert-0.2.out and so on ) to construct the matrices of \chi and \chi_0 as in Eq.(18) ? Beat regards Q J Wang XiangTan University ??YEAH.NET????????????? -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090810/0d57f03f/attachment.htm