[Pw_forum] elastic constants

[Paolo Giannozzi]

On Thursday 09 October 2003 08:54, Kemal Çolakoğlu wrote:

> can PWscf(v.1.3) do elastic constants (Cij) calculations ?

with stress calculations at finite displacements, yes.
Within linear response [ PRL 59, 2662 (1987) ], no

Paolo
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Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
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