[DFTB-Plus-User] Kpoints

toufik esssakhri tousak at hotmail.fr
Mon Mar 23 10:06:42 CET 2020


Dear all,

why DFTB+ is not sensitive to Kpoints?
I have modified the kpoint from 12 to 48 but I got the same total energy!

12 -331.0231
14 -331.0231
16 -331.0231
18 -331.0231
20 -331.0231
22 -331.0231
24 -331.0231
26 -331.0231
28 -331.0231
30 -331.0231
32 -331.0231
34 -331.0231
36 -331.0231
38 -331.0231
40 -331.0231
42 -331.0231
44 -331.0231
46 -331.0231
48 -331.0231

Sincerely
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