Jiayu Dai wrote: > Dear Users, > > Is there any description for the temperature dependent exchange correlation > energy > in QE?
I don't think there is any implementation of such thing in QE at the moment (neither I've heard of any projects which aims at including it soon). > If no, and if i want to add this part, could i change the generated PPs at > the same time? In principle I think that you SHOULD (not could...), but this would require to generate a separate PP for any temperature or range of temperatures. I don't know if anyone tried such solution, maybe people simply resort to use PPs built at 0K. Anyway I suggest you to read all the relevant literature before starting to implement this feature (if you really need it...). Regards GS > > Thanks a lot. > > Jiayu > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -- o ------------------------------------------------ o | Gabriele Sclauzero, PhD Student | | c/o: SISSA & CNR-INFM Democritos, | | via Beirut 2-4, 34014 Trieste (Italy) | | email: sclauzer at sissa.it | | phone: +39 040 3787 511 | | skype: gurlonotturno | o ------------------------------------------------ o
