[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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