If you interpret +U as a Slater-Janek method (see DOI:
10.1103/PhysRevMaterials.2.025001 and references therein), you can use it
to estimate the effect fairly well.
On Sun, Jun 30, 2019 at 2:05 PM Lyudmila Dobysheva wrote:
> Dear WIEN-users,
>
> How to calculate the high-lying energy level in
Dear WIEN-users,
How to calculate the high-lying energy level in XPS (close to valence
band, less than the standard 6 Ry)?
To put the core hole, the only way that I know is to change the 6 Ry to
a less value and move the level from the semi-core (valence) to the core.
Is it correct?
Best
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