[Pw_forum] (no subject)

[Shuai]

For some non-cubic structure, even I increase the density of K points, 
the Nscf still gives different fermi energy level.

but if I didn't use occupations  = 'Tetrahedra' for NSCF, it can produce 
the same Fermi energy level.

I suggest you try to change the occupations in nscf input file.

On 12/01/2015 05:02 PM, Tariq Sami wrote:
> Dear all,
>      I have a (very basic) question regarding band structure 
> calculations.
> One requires Fermi energy for band structure calculations but the are 
> two different Fermi energies in the
> scf and nscf outputs. Can anyone please tell which one should i use 
> and what's the basic difference?
> Thanks in advance
>
>
>
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-- 
PhD candidate
Graduate School of Life Science and Systems Engineering
Kyushu Institute of Technology, Japan

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