[Pw_forum] Silent Calculations
Paolo Giannozzi
giannozz at democritos.it
Fri Aug 8 22:22:53 CEST 2008
On Aug 8, 2008, at 18:41 , S. K. S. wrote:
> Only for Gamma point phonon one can use "Frozen
> phonon" method because it is much faster.
not true in general. Each linear-response calculation
costs approx. as much as a self-consistent one, and
you need at least as many scf calculations as
linear-response calculations
Paolo
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Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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