[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:/
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