Dear PWscf users,
first, I would like to thank prof baroni for it reply .
second, I have a question about optimization of an monoclinic structure, so
to do that have I to optimize c/a, V, b/a, V, ...., c/a, 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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