[Wien] linearization!
Nacir GUECHI
guechiphy at yahoo.fr
Sat Apr 2 12:57:20 CEST 2016
Dear wien users.is the switch "-in1new 3 -in1orig" sufficient to do optimization+relaxation?or, we use only the switch -in1new3; and after 3 cycles we change
the energy increment from its value 0.000 to 0.001 for semi-core states?
with best regards.
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Nacir GUECHI
Docteur en Physique du solide.Enseignant-Chercheur à l'université du Dr. Yahia FARES de Médéa, 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/
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