the core states".
Em ter., 17 de nov. de 2020 às 13:49, Wanderson Lobato Ferreira <
wlferre...@usp.br> escreveu:
> Dear users, how to apply the SIC of Lundin and Eriksson (LE-SIC) or of
> Perdew and Zunger (PZ-SIC) to the core states.
>
___
Dear users, how to apply the SIC of Lundin and Eriksson (LE-SIC) or of
Perdew and Zunger (PZ-SIC) to the core states.
___
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Prof. Blaha thanks for answering. I did not contextualize this here but I
had already calculated the "outputs" for EFG analysis (x lapw2 [-qtl,
-efg]).
Em sex, 18 de out de 2019 às 07:49, Wanderson Lobato Ferreira <
wlferre...@usp.br> escreveu:
> I understand. Many thanks
9 às 07:05, Wanderson Lobato Ferreira <
wlferre...@usp.br> escreveu:
> hello steffan! I appreciate your contact.
> I would like to get the expected value of <1 / r³> corresponding to the
> valence states that contributes significantly to Vzz, in this case V_ {zz}
> ^ {p} and V
hello steffan! I appreciate your contact.
I would like to get the expected value of <1 / r³> corresponding to the
valence states that contributes significantly to Vzz, in this case V_ {zz}
^ {p} and V_ {zz} ^ {d}
Em sex, 18 de out de 2019 às 05:19, Wanderson Lobato Ferreira <
wlferre.
Hello everyone. I am investigating electric hyperfine interactions and
performing non-spinpolarized calculations.
In the PAS of the efg, what would be the calculation protocol for
estimating the expected value of <1 / r ^ 3> to determine the valence part
of the main component Vzz ?
ar de 2019 às 15:16, Wanderson Lobato Ferreira <
wlferre...@usp.br> escreveu:
> Dear users, I have performed successful minimizations, but I have faced
> this problem with a specific system:
>
> ---
Dear users, I have performed successful minimizations, but I have faced
this problem with a specific system:
---
* bla, bla, bla bla*
LAPW2 - FERMI; weights written
LAPW2 END
LAPW2 END
LAPW2
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