[Wien] vresp -- exactly what is it?

[Peter Blaha]

It contains   sum(E_nk)  E_nk * rho_nk, where E_nk is the eigenvalue 
(with bandindex n and at k-point k) and rho_nk is the corresponding 
density. It is used to get the kinetic energy density "tau" in lapw0.
(see Int.J.QuantumChemistry, 75, 889 (1999)

Laurence Marks schrieb:
> Could someone tell me exactly what the arrays vresp correspond to. Thanks.
> 

-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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