[Pw_forum] electron-phonon matrix element - relationship between npert and nu
Lorenzo Paulatto
Lorenzo.Paulatto at impmc.upmc.fr
Mon Dec 19 16:59:28 CET 2011
On Mon, 19 Dec 2011 12:48:42 +0100, Paolo Giannozzi
<giannozz at democritos.it> wrote:
>> Can you please refer to the variables which store the basis for
>> atomic displacements ?
At the end of the phonon calculation, the phononic eigenvectors are
printed at the end of the fildyn file.
During the phonon calculation the symmetry-dependent patterns are stored
in the variable "u" from module "modes".
best regards
--
Lorenzo Paulatto IdR @ IMPMC/CNRS & Université Paris 6
phone: +33 (0)1 44275 084 / skype: paulatz
www: http://www-int.impmc.upmc.fr/~paulatto/
mail: 23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05
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