[Pw_forum] Wrong phonon frequencies when using nosym=false

Tao Sun tsun at grad.physics.sunysb.edu
Tue Dec 3 03:53:31 CET 2013

On Fri, Nov 29, 2013 at 3:46 AM, Paolo Giannozzi
<paolo.giannozzi at uniud.it>wrote:

> It looks like a problem with a symmetry having an
> associated fractional translation. It would be
> interesting to know whether this problem is still
> present in the svn version, and if not, a smaller
> test showing the same problem
Thank you Paolo.  Following your suggestions we conducted further tests.
The problem persists in the latest svn version.   Setting 'force_symmorphic
= .true.' or not yields drastically different results.  The
pseudo-potentials were replaced by those from the pwscf website and without
semicores.  Accordingly the calculations were significantly faster.

Best regards

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