[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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