[QE-users] KS eigenvalues

[Stefano Baroni]

Can you give a definition of what you wish? (In mathematical symbols, not words) — SB

—
Stefano Baroni -  SISSA, Trieste - http://stefano.baroni.me, stefanobaroni (skype)

There are two ways of doing a theoretical calculation: you should have either a clear physical model in mind, or a rigorous mathematical basis. You have neither. [E. Fermi to F.J. Dyson, as humbly reported by the latter]

> On 16 Feb 2021, at 10:12, taoufik espresso <tawf.espresso at gmail.com> wrote:
> 
> Dear all,
> I would like to kindly ask if it is possible to calculate the orbital resolved Koh-Sham eigenvalues and corresponding occupation number? If so, how to do it?
> 
> 
> 
> Best regards,
> Toufik
> Technical university - cz
> 
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