Dear Lorenzo. Thank you for your contribution.
2011/8/29 Lorenzo Paulatto <Lorenzo.Paulatto at impmc.upmc.fr>: > On Mon, 29 Aug 2011 15:07:21 +0200, Antonio <antonio.msj1 at gmail.com> wrote: >> In phonon calculations are generated some "data-file.#iq.#irr.xml" >> files (*.phsave directory). In this files there are two columns. what >> information are contained there? > > Dear Antonio, > those are internal files, which are not supposed to be read by the code > users... anyway, the columns are the real and imaginary part of the > element of line #irr if the dynamical matrix at point #iq > > best regards > > -- > Lorenzo Paulatto IdR @ IMPMC/CNRS & Universit? Paris 6 > phone: +33 (0)1 44275 084 / skype: paulatz > www: ? http://www-int.impmc.upmc.fr/~paulatto/ > mail: ?23-24/4?16 Bo?te courrier 115, 4 place Jussieu 75252 Paris C?dex 05 > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -- Doutorando Ant?nio M. Da Silva Jr. NEQC: Nucleo de Estudos em Quimica Computacional Departamento de Quimica - ICE Universidade Federal de Juiz de Fora Campus Universitario S/N 36.036-330 Juiz de Fora - MG - Brasil http://lattes.cnpq.br/0895213089855328
