[Pw_forum] Problem with ph.x code after a vc-relax scf run

2014-07-21 Thread Paolo Giannozzi
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

[Pw_forum] Problem with ph.x code after a vc-relax scf run

2014-07-18 Thread Paolo Giannozzi
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 ph

[Pw_forum] Problem with ph.x code after a vc-relax scf run

2014-07-18 Thread Duc-Long Nguyen
Dear Cameron Foss, The error shows exactly what you should notice: "The phonon code is not working after vc-relax" You should get the output position from your system after vc-relax step, run another scf (without vc-relax) , set the ibrav=0 and position the vc-relax step. After that you can run

[Pw_forum] Problem with ph.x code after a vc-relax scf run

2014-07-17 Thread Cameron Foss
Hello all, I am trying to find the phonon frequencies of silicon under hydrostatic strain. The SCF file runs to completion, however when I run the ph.x code it give an error saying: "Error in routine phq_readin (1): The phonon code is not working after vc-relax" Here's the scf input file &control