[Pw_forum] the best choice for k-point
Farzad Molani
farzad_c81 at yahoo.com
Sat Aug 14 16:41:31 CEST 2010
hello QE users,
I'm going to achieve the best kpoint and cut-off for my system. I got results but I do'nt know, What is the best choice for K-point?
please help me,
thanks in advance.?
energy(Ry) k-point
-270.57530321 1 1 3
-270.58540932 1 1 4
-270.58749209 1 1 5
-270.58517276 1 1 6
-270.58547581 1 1 7
-270.58556388 1 1 8
-270.58553867 1 1 9
-270.58554333 1 1 10
Farzad Molani,
Ph.D Student,
Department of Theoretical Physical Chemistry,
K. N. Toosi University of Technology,
Tehran, Iran.
Tel.:
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