Dear Paolo, Thank you very much for you suggestion. In the project I'm considering, there is a psi with k=0 and a general complex vloc = v(r,G') which is obtained by invfft for coulomb potential v(G,G'). This is not the case in vloc_psi_k.
But I really appreciate your kind help. Best, Fang ? May 18, 2013?5:27 AM?Paolo Giannozzi <paolo.giannozzi at uniud.it> ??? > On Fri, 2013-05-17 at 12:00 -0700, Fang Liu wrote: > >> But if I want to revise this subroutine by letting Vloc is a general >> complex vector > > if you want to see how to deal with a general \psi, you should look at > the vloc_psi_k. It assumes real V but complex \psi, though. It is not > clear to me what the implications of having a complex potential are. > > P. > > -- > Paolo Giannozzi, Dept. Chemistry&Physics&Environment, > Univ. Udine, via delle Scienze 208, 33100 Udine, Italy > Phone +39-0432-558216, fax +39-0432-558222 > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum
