MBJLDA band structure calculation

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wyxsdu

MBJLDA band structure calculation

#1 Post by wyxsdu » Tue Dec 17, 2013 11:13 am

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
Last edited by wyxsdu on Tue Dec 17, 2013 11:13 am, edited 1 time in total.

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Re: MBJLDA band structure calculation

#2 Post by support_vasp » Thu Sep 12, 2024 8:31 am

Hi,

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