[Pw_forum] fft 3D

Paolo Giannozzi paolo.giannozzi at uniud.it
Sat May 18 14:27:01 CEST 2013


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 




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