Hi,
Just one question,
Increasing the value of NBANDS-tag, Does VASP extend the maximum and minimum eigenvalues obtained as solution of the Kohn-Sham equations?.
My first impression is that yes, but I wonder if somehow VASP limited energy range depending on the different methods of calculation that VASP can use.
The reason for this question is that I have a calculus whose values are drastically cut from 2.0 eV, above the Fermi level (assuming E_FERMI = 0 eV). I have already changed the EMAX, EMIN parameters but I have not gotten any results. The truth is I'm using a very high value for NBANDS-tag: about 8 times the default VASP, and I can not increase so much it becouse memory constraints.
Thanks for your attention and reply.
Extend energy range in EIGENVAL files
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5-1051
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Extend energy range in EIGENVAL files
Last edited by 5-1051 on Tue Jul 01, 2014 5:39 pm, edited 1 time in total.
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support_vasp
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Re: Extend energy range in EIGENVAL files
Hi,
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