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Some small wrong in electronic band structure which I worked out

Posted: Tue Mar 26, 2013 9:28 am
by chenxin1992
Dear all:

The wrong occur in the conduction band(insulator).

at the top of the conduction band (about 10ev),the lines aren't smooth ,such as sawtooth. It's so ugly.,
how to sovle it?


but at the bottom and in the middle of the conductiong band,everything acts OK.lines are smooth and same to the former others' reseaches.


the ECUT=500, 40 points between every special point.


thanks for your reading!



chan Xin

Re: Some small wrong in electronic band structure which I worked out

Posted: Tue Sep 10, 2024 2:26 pm
by support_vasp

Hi,

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