[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/
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