Calculation of the total energy and of its first derivatives (atomic forces). Calculation of vibrational frequencies by the frozen-phonon method
Place
Location: Trieste - Italy
Date:
27 Jan 09:30 - 13:00
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Presented by STEFANO FABRIS
on
27/1/2003
at
9:30
Organizers
S. Baroni, A. Dal Corso, S. de Gironcoli, P. Giannozzi