Hi all, ...and it will be great when hybrid functionals can be used as well for it. Best, Jos? Carlos
El 22/01/2013 12:41, Jarkko V?h?kangas escribi?: > Hi Emine, > > thank you for your fast response and information. For the present, > I'll stay tuned and calculate with norm conserving way. Definitely I > am eager to test USSP when that day will come! > > thanks, Jarkko > > > On Jan 22, 2013, at 1:02 PM, Kucukbenli Emine > <emine.kucukbenli at epfl.ch <mailto:emine.kucukbenli at epfl.ch>> > wrote: > >> > Hi all, >> Hi Jarkko >> >> > So, is it so that norm conserving way is the only one for g thus far? >> > If is, why and would it be doable with ultrasoft? >> >> Yes, norm conserving is the only way within 'linear response' method >> implemented so far. >> Big part of it is there actually, just needs a careful check on >> equations and probably addition of overlap operator 'velocities'..It >> is high priority in our todo list. If you want to contribute in >> implementation, it would be great. Otherwise, stay tuned! >> >> emine kucukbenli, postdoc, theos, epfl, switzerland >> >> ps: i believe there is an almost ready to be released "converse >> approach" version for g tensor with USPPs. For more on converse, >> check the references here:http://code.google.com/p/converse-nmr/ >> >> _______________________________________________ >> Pw_forum mailing list >> Pw_forum at pwscf.org <mailto:Pw_forum at pwscf.org> >> http://pwscf.org/mailman/listinfo/pw_forum > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum -- Jos? C. Conesa Instituto de Cat?lisis y Petroleoqu?mica, CSIC Marie Curie 2, Cantoblanco 28049 Madrid - Spain Tel. +34-915854766 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130122/6c7d0bb4/attachment.html