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 <jazai...@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
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