[QE-users] problem in optimizing K points

Julaiba Tahsina Mazumder julaibatahsina at rnd.iitg.ac.in
Wed Jan 25 04:45:59 CET 2023


Dear All

I have tried to optimize k points for WS2 structure. But for all values of
k points (221), (441), (6 6 1)  etc total energy is coming out exactly the
same. I have attached my input file. Can anyone please help me out?

Thank you in advance
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