[Wien] What's the correct procedure for mBJ calculation
Maciej Polak
maciej.polak at pwr.edu.pl
Mon Nov 14 00:10:20 CET 2016
Dear A. Reggad,
I think it doesn't really matter when you save, you may not save at all
if you don't want to, it's just good practice so you don't have to redo
everything when you mess something up.
Also, I would advice always reading the Userguide first, follow what you
find there, and you will never be dissapointed, it tells you everything
you need to know. Only if you really don't understand something, go to
other places. And if you run init_mbj_lapw it tells you to save in the
same way as the userguide.
Best regards
Maciej Polak
On 11/13/2016 11:53 PM, Abderrahmane Reggad wrote:
> Dear Prof Tran
>
> In the page 14 of WIEN2k_lecture-notes_2013 , It's mentionned that the
> saving of the PBE calculation precedes the first mBJ initialization (
> http://www.wien2k.at/reg_user/textbooks/WIEN2k_lecture-notes_2013/Exercises_13.pdf)
> while in the userguide (
> http://www.wien2k.at/reg_user/textbooks/usersguide.pdf ) it's
> mentionned the inverse order .
>
> What's the correct procedure or It doesn't matter
>
> Best regards
> --
> Mr: A.Reggad
> Laboratoire de Génie Physique
> Université Ibn Khaldoun - Tiaret
> Algerie
>
>
>
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20161114/96ef1699/attachment.html>
More information about the Wien
mailing list