Dear PWSCF users,
When I was doing spin-orbit calculations for Ge, I got some error as
Error in routine tipo_sym (1):
symmetry not recognized
Does anyone know how to solve this problem? I don't want to use nosym =
On Wed, 2014-11-26 at 13:09 -0500, Lin, Yangzheng wrote:
> Error in routine tipo_sym (1):
> symmetry not recognized
> Does anyone know how to solve this problem?
not really a solution but a workaround: remove the following line
> verbosity = 'high',
P.
--
Paolo Giannozzi,
Thanks Paolo, I got another solution too by modifying the lattice
parameters a little bit to,
CELL_PARAMETERS (alat= 1.)
0.0 5.440045000 5.440045000
5.440045000 0.0 5.440045000
5.440045000 5.440045000 0.0
I don't know the reason, but the symme
On Wed, 2014-11-26 at 17:27 -0500, Lin, Yangzheng wrote:
> Thanks Paolo, I got another solution too by modifying the lattice
> parameters a little bit to,
>
> CELL_PARAMETERS (alat= 1.)
unrelated to your problem: The code can in principle work with
any value of the lattice parameter, b
Thank you for reporting this. There was actually a problem with rounding
errors in the search of point group symmetry. Now I corrected the bug in
the SVN version.
Andrea
On Wed, 2014-11-26 at 17:27 -0500, Lin, Yangzheng wrote:
> Thanks Paolo, I got another solution too by modifying the lattice
