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.
NELECT doping effect
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Re: NELECT doping effect
Hi,
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