[Pw_forum] Advanced Linear Response (Especially Phonons)

W2AGZ w2agz at w2agz.com
Sun Feb 17 04:59:17 CET 2013


A few days ago, I stumbled across a fascinating QE tutorial, probably dating
from 2005, addressing several varieties of phonon-related calculations.  Go
to http://www.fisica.uniud.it/~giannozz/QE-Tutorial/tutorial_advph.html.
You'll recognize the author.  I was especially interested in the e-p calc
lessons, but was unable to find in the tar file, examples_advph.tgz, the
requisite al.scf.fit.in, al.nscfX.in, al.elphX.in files.  I suspect these,
if available, may be modeled on example07.or vice versa.  Any comment, Prof.
Giannozzi?

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