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Any way to specify the energy range of LCAO coefficient output?
Date: 2015/08/13 19:09
Name:
Seungjin Kang
<
detshh@gmail.com
>
If I write "MO.fileout on" on input file,
it prints out LCAO coefficients on ".out" file at all energy eigenvalues.
But if the number of kpoints increase, the output file becomes so long
and actually, I'm only interested in the LCAO coefficient near fermi energy.
So, it is possible to specify energy range for LCAO coefficient output?
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Re: Any way to specify the energy range of LCAO coefficient output?
( No.1 )
Date: 2015/08/14 18:38
Name:
Artem Pulkin
Hi,
When I was interested in this I did not find it in the documentation and had to implement it on my own. It is quite trivial to code, though.
Artem
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Any way to specify the energy range of LCAO coefficient output?
Re: Any way to specify the energy range of LCAO coefficient output?