ismear=-5 for accurate DOS
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wenruan
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ismear=-5 for accurate DOS
In my graphene calculation, I set ismear=-5 to get accurate DOS. But I find some unrealistic jumps in DOS near fermi level, no matter how many kpoints I use, where the energy bands are linear.
Last edited by wenruan on Fri Jun 10, 2011 11:40 am, edited 1 time in total.
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support_vasp
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Re: ismear=-5 for accurate DOS
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