[Pw_forum] K POINTS

[mayank gupta]

Dear All


I am doing SCF calculation of ZnSe it has 16 atom and simple cubic
structure. I have calculated total energy using Monkhorst pack scheme
of k point generation with shift. I got 176 k points while using the
kpoint.x utility i found it generates only 120 k points for simple
cubic structure. did i make any mistake? or the kpoint.x utility is
different from monkhorst method.


Thanks
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Mayank

 BARC
MUMBAI, INDIA