[Wien] l'approximation MBJ

Gavin Abo gsabo at crimson.ua.edu
Sun Aug 11 15:35:26 CEST 2013


Michael, init_mbj_lapw exists as a new script in Wien2k 13.1, so it was 
not in previous versions.

On 8/11/2013 4:42 AM, Michael Sluydts wrote:
> Hello,
>
> It's best to send questions in english to get more replies (since many 
> won't speak french). You can find all the steps for running an mBJ 
> calculation in the manual starting at page 54 (paragraph 4.5.9). It 
> will however refer to the program init_mbj_lapw which, as far as I'm 
> aware, doesn't exist. It however details the exact steps that this 
> program would execute and you can just follow the steps exactly as 
> shown in that paragraph.
>
> If you have any more detailed questions you can always let us know.
>
> Kind regards,
>
> Michael Sluydts
>
> Op 11/08/2013 13:09, Sameh noui schreef:
>> SVP j'aimerai bien savoir comment faire pour utiliser l'approximation 
>> MBJ sous le code wien2k

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