[Pw_forum] problem with kband and kpoint in pp.x
Farzad Molani
farzad_c81 at yahoo.com
Tue Jan 10 08:49:08 CET 2012
Hello pwscf users,
I want to study |psi|^2 by pp.x, but I don't know how can I choose good numbers for kpoint and kband? please help me.
with the best regards
Farzad Molani,
Ph.D Student,
Department of Theoretical Physical Chemistry,
K. N. Toosi University of Technology,
Tehran, Iran.
Tel.: 009891 4442 3308
Tel.: 009821 2306 4280
Fax: 009821 2285 3650
Web: http://www.chem.kntu.ac.ir/~sjalili:/
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20120109/143456a6/attachment.html>
More information about the users
mailing list