[Pw_forum] question

wang yanchao wyanchao at gmail.com
Wed Oct 25 13:44:39 CEST 2006


Dear all:
    I have a question  when  I read the source program of PWscf.The route of
the source program is PWscf/PW/kpoint_grid.f90.In it I find
"if(t_rev(ns).eq.1) xkr=-xkr".I think "t_rev" is used to decide time
revers.But  I write "t_rev" when I caculate example01 namely  Cu`s
scf.Theresult is "0"rather than "1".I feel very confused. if it is
"0",then
"(t_rev.eq.1)"is false .This indicate that Cu`structure has no time revers.
But in fact,  Cu`structure is fcc,it should have time revers.So I do not
know it clearly.Could you please tell me why ?Thank you!





sincerly

Yanchao Wang
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20061025/266bea8d/attachment.html>


More information about the users mailing list