On Fri, 2014-07-18 at 16:30 +0200, Paolo Giannozzi wrote: > 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
actually: you can perform a phonon calculation at the end of a variable-cell optimization, only if this performs a final scf run in which the plane-wave basis set is recomputed for the final cell. In that case, you should not get an error message. Paolo -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
