[CP2K-user] [CP2K:17271] In ability to get the correct band structure of graphene
Anjali ganai
jk831183 at gmail.com
Tue Jul 5 07:20:40 UTC 2022
Dear All,
I have been trying to get the band structure of graphene. But the band
structure doesn't look like a semimetal. I tried with higher value of
NPOINTS and changed the Kpoint girds even, but it was of no help. Can
anyone please suggest me something.
The input file and the bandstructure have been attached.
Regards,
Anjali
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