[Pw_forum] about relax in electric field
Q.J.Wang
wangqj1 at 126.com
Sun Dec 6 10:39:54 CET 2009
Dear Lorenzo Paulatto
I am very sorry for my last letter .I don't know why it become some garbage, now I send it again .
I only want to add a homogeneous finite electric field .In the instruction of the dipfield paremeter ,it said dipfield turn on only tefield is turn .So I don't know why you introduce the usage of parameter dipfield ?
I have see the code of forces_bp_efield.f90 in version 4.1(my cluster installed) .It seems that :"PAY ATTENTION:EL FIELD AND OCCUPATIONS" is not a error .My question is why when I turn on the lefield ,relax is so slower than without adding efield ? And one puzzled problem is ,at the start ,when the first iteration has not achieved the save file has turn up .
Best regards
Q.J.Wang
XiangTan University
?
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20091206/a521f9aa/attachment.html>
More information about the users
mailing list