[Pw_forum] can pwscf compute the phonon of properties of excited state?

Axel Kohlmeyer 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
If you make something idiot-proof, the universe creates a better idiot.

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