> Dear developers, > > When i tested the new package of TDDFPT, i found we can not do the > calculations with two cases: with more than k-points (not Gamma only), and > with electronic smearing method. Is it ture ? > yes > And if these two limitations can be overcome in the new release of the QE > package of 4.3? > no, I am afraid ...
SB So so so so disappointed. If these two limitations existed, we can not do a lot of caculations. However, i found the more k-points calculations in your Tutorial file at some conference, where the 1*1*1 k-point is used. So, i think there should be no difficult to add this part in the code. Grazie. Jiayu -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110328/e368d41c/attachment.htm
