[Pw_forum] Problem with ph.x code after a vc-relax scf run
Paolo Giannozzi
paolo.giannozzi at uniud.it
Fri Jul 18 16:30:27 CEST 2014
On Thu, 2014-07-17 at 22:09 -0400, Cameron Foss wrote:
> "Error in routine phq_readin (1):
> The phonon code is not working after vc-relax"
I suspect that it is an obsolete check. You may verify it by commenting
out the line in PHonon/PH/phq_readin.f90 that issues this error and
performing the phonon calculation after a variable-cell optimization
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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