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 <[email protected]> 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 > > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu) > users mailing list [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users
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