how to setup KPOINTS file for GW band structure
Posted: Wed Feb 17, 2021 1:16 pm
if setup KPOINTS to line-mode, as
0.5 0.5 0.5 !L
0.0 0.0 0.0 !G
0.0 0.0 0.0 !G
1.0 0.0 0.0 !X
I got error of "two kpoints equivalence". Then I turn to set one segment,
0.5 0.5 0.5 !L
0.0 0.0 0.0 !G
I got error of "zero weigth“
how to setup KPOINTS?
0.5 0.5 0.5 !L
0.0 0.0 0.0 !G
0.0 0.0 0.0 !G
1.0 0.0 0.0 !X
I got error of "two kpoints equivalence". Then I turn to set one segment,
0.5 0.5 0.5 !L
0.0 0.0 0.0 !G
I got error of "zero weigth“
how to setup KPOINTS?