[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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