[Wien] Q:How many k-points are appropriate in a calculation on
supercell
Jiang Jun
czjiangjun at hpsv.pku.edu.cn
Tue Nov 15 16:40:31 CET 2005
Usually, I chose 1000-3000 k-points in a unit cell with RminKmax=7.00.
It takes too much time,if I still keep 3000 k-points in the SCF.
How many k-points are appropriate when dealing with a 2*2*2 supercell?
Is it feasible to choose 300 k-points or decrease the value of RminKmax to
6.00?
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