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MBJLDA band structure calculation

Posted: Tue Dec 17, 2013 11:13 am
by wyxsdu
Dear VASP users,

When using MBJLDA to calculate band structure, how to increase intersection points between high symmetry point.

After calculating SCF with metagga = true, I copy the IBZKPT to KPOINTS, then I add high symmetry k points to KPOINTS with zero weight. But, the obtained band plot is not smooth. I guess the intersection points is few.

yuanxu

Re: MBJLDA band structure calculation

Posted: Thu Sep 12, 2024 8:31 am
by support_vasp

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

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VASP