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NELECT doping effect

Posted: Mon Mar 09, 2015 9:47 am
by bogo0103
Dear all,

I am calculating phonon dispersion using VASP with Phonopy.
And I am interested in phonon dispersion changes depend on doping.

As I know, VASP does not support Virtual Crystal Approximation.
But I realize that I can change the Fermi level by varying NELECT tag
and it also works for non integer number of electrons such as 'NELECT = 10.5'.

Can I get physically meaningful result by varying the NELECT tag?
I wonder I can observe the doping effect on phonon dispersion by varying the NELECT tag.

If this approach in not meaningful,
Is there any method to observe the doping effect on phonon dispersion using VASP?

Thank you very much.

Re: NELECT doping effect

Posted: Thu Sep 12, 2024 7:13 am
by support_vasp

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP