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
