[Wien] The results of the 2Doptimize package

[Peter Blaha]

NO !!!
You should NOT comment this line. The extrapolation lines are ok for 
both non-spinpolarized and spinpolarized calculations.

Am 09.01.2017 um 22:05 schrieb Nacir GUECHI:
> u shoud add "#" to clmextrapol_lapw in SP case, that's all Dear A. Reggad.
> with best wishes.
> /******************************************************
> *Nacir GUECHI*
> /
> /Dr. Physique de la matière solide./
> /Enseignant-Chercheur à l'université du Dr. Yahia FARES de Médéa
> <http://www.univ-medea.dz/fr/>,  Algeria (www.*univ-media*.dz)./
> /Laboratoire d'études des surfaces et interfaces des matériaux solides
> (L.E.S.I.M.S), université Sétif1 (Algeria)/
> /http://laboratoires.univ-setif.dz/L.E.S.I.M.S//
>
>
> Le Lundi 9 janvier 2017 21h50, Abderrahmane Reggad <jazairdz at gmail.com>
> a écrit :
>
>
>
>
> Thanks De Ghechi for your answer
>
> But I didn't the statement to uncomment this line only for SP case
> according the guide of 2Doptimize.job from this link
>
> http://susi.theochem.tuwien.ac.at/reg_user/textbooks/2Doptimize.pdf
>
> Best regards
>
> --
> Mr: A.Reggad
> Laboratoire de Génie Physique
> Université Ibn Khaldoun - Tiaret
> Adresse: BP 144 AL ATTAF AIN DEFLA
> Tel: +213(0)561861963
> Algerie
>
>
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at <mailto: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
>
>
>
>
> _______________________________________________
> 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
>

-- 
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.at    WIEN2k: http://www.wien2k.at
WWW:   http://www.imc.tuwien.ac.at/staff/tc_group_e.php
--------------------------------------------------------------------------