Dear PWscf users, I have a question about optimization of an monoclinic
structure, so to do that have I to optimize c/a, V, b/a, V, ...., beta, V, in
SCF manner until convergence of the structure or can I perform just one c/a,
b/a, V optimization ? How can I to optimize i.e. beta angel? Any comments are
welcome.
Thank you in advance
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Fatma Litimein
Computational Materials Science Laboratory,
Physics Department, University of Sidi Bel Abbes
Sidi Bel Abbes, 22000 - Algeria
Tel:+213 48-54-95-46 Fax:+213 48-54-19-28 flitimein at yahoo.fr
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