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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