[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.

axel.

YX>  iter #  78 total cpu time : 20566.8 secs   av.it.: 141.6

[...]


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Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
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