Thank you. I had to use 'cg' because I was running into problems during
EPW calculations if I used Davidson.
Am 26.09.2018 um 09:18 schrieb Paolo Giannozzi:
Please see here: https://gitlab.com/QEF/q-e/issues/64 . Workaround:
use Wyckoff positions if you know them. Thank you for reporting this
Please see here: https://gitlab.com/QEF/q-e/issues/64 . Workaround: use
Wyckoff positions if you know them. Thank you for reporting this problem
Paolo
PS: don't use 'cg' unless you have good reasons to: it is usually much
slower than Davidson
On Tue, Sep 25, 2018 at 12:24 PM, Noé Mascello
Hi Paolo
It should be P4/ncc (#130). I checked it with FINDSYM from the ISOTROPY
suite.
Regards,
Noé
Am 25.09.2018 um 10:38 schrieb Paolo Giannozzi:
It might be yet another case of "quasi-symmetric" system. What is the
expected symetry group of your material?
Paolo
On Mon, Sep 24, 2018
It might be yet another case of "quasi-symmetric" system. What is the
expected symetry group of your material?
Paolo
On Mon, Sep 24, 2018 at 12:07 AM, Noé Mascello wrote:
> Dear Quantum Espresso community,
>
> I have a structure where the phonon calculation for a single irreducible
> q-point
