[Pw_forum] for IR calculation

Paolo Giannozzi paolo.giannozzi at uniud.it
Mon Jan 12 08:15:11 CET 2015


On Mon, 2015-01-12 at 09:45 +0800, Shaofeng Wang wrote:

> I found the IR  intensity in output file are all zero.

>   &INPUTPH
> !  epsil=.true.,

no effective charges computed, no IR cross sections

Paolo
 
-- 
Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222 




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