[Pw_forum] can pwscf compute the phonon of properties of excited state?
akohlmey at cmm.chem.upenn.edu
Mon Dec 29 16:27:59 CET 2008
On Mon, 29 Dec 2008, xu yuehua wrote:
YX> hi all
YX> i face a problem when calculate the phonon at G of excited state?
what _kind_ of excited state?
what are the inputs that you were using?
as has been mentioned here _many_ times, the more details
you provide, the better chances you have of getting a useful
answer, or any answer at all.
YX> iter # 78 total cpu time : 20566.8 secs av.it.: 141.6
Axel Kohlmeyer akohlmey at cmm.chem.upenn.edu http://www.cmm.upenn.edu
Center for Molecular Modeling -- University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582, fax: 1-215-573-6233, office-tel: 1-215-898-5425
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