Professor Tran,
Thank you very much.
Pablo de la Mora
De: wien-boun...@zeus.theochem.tuwien.ac.at
en nombre de
t...@theochem.tuwien.ac.at
Enviado: sábado, 2 de mayo de 2015 02:28 a. m.
Para: A Mailing list for WIEN2k users
Asunto: Re
Dear Dr. Víctor Luaña,
Thanks so much for the explanation.
Kind regards
Lawal Mohammed
On Saturday, May 2, 2015 5:10 PM, Víctor Luaña Cabal
wrote:
On Sat, May 02, 2015 at 08:25:25AM +, Lawal Mohammed wrote:
> Dear Developers and Users
> Please what is wrong in having P1 symmet
On Sat, May 02, 2015 at 08:25:25AM +, Lawal Mohammed wrote:
> Dear Developers and Users
> Please what is wrong in having P1 symmetry? I got P1 when I
> initialized supercell calculations. In the mail archive P1 is regarded
> as less efficient. How can I improve the symmetry at the same time
>
Dear Developers and Users
Please what is wrong in having P1 symmetry? I got P1 when I initialized
supercell calculations. In the mail archive P1 is regarded as less efficient.
How can I improve the symmetry at the same time maintaining same structure?
Could somebody elaborate please.
With kin
Hi,
these are papers on mBJ+U:
http://dx.doi.org/10.1063/1.4798706
http://dx.doi.org/10.1063/1.4828864
Very often, the procedure is to adjust U until the
desired results are obtained.
F. Tran
On Fri, 1 May 2015, delamora wrote:
Sorry for this question, it has been answered before;
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