[Pw_forum] esm and phonons

Paolo Giannozzi giannozz at democritos.it
Mon Jun 27 08:29:38 CEST 2011


On Jun 22, 2011, at 16:40 , Angelo Peronio wrote:

> is it possible to perform a phonon calculation after a SCF one which
> employed the Effective Screening Medium by Otani and Sugino
> (assume_isolated = 'esm')?

very unlikely: ESM was added just a few weeks ago

P.
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Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222







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