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 GĂ©nie Physique
Université Ibn Khaldoun - Tiaret
Algerie




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