[Pw_forum] Symmetry not recognized in spin-orbit calculations

[Paolo Giannozzi]

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=  1.00000000)

unrelated to your problem: The code can in principle work with 
any value of the lattice parameter, but it is a good habit to
use a sensible value, not 1, or the conversion factor from A 
to a.u., as often done for no good reason (both lattice vectors
and atomic positions can be provided in a.u. or in A)

>    0.000000000   5.440045000   5.440045000
>    5.440045000   0.000000000   5.440045000
>    5.440045000   5.440045000   0.000000000

> I don't know the reason, but the symmetry problem was solved.

nor do I, but the code shouldn't have stopped, since the computed
information on space groups is used only for printout and not for
computations

Paolo
> 
> Yangzheng
> 
> 
> On Wed, Nov 26, 2014 at 4:26 PM, Paolo Giannozzi
> <paolo.giannozzi at uniud.it> wrote:
>         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, Dept. Chemistry&Physics&Environment,
>         Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
>         Phone +39-0432-558216, fax +39-0432-558222
>         
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> 
> 
> -- 
> Yangzheng Lin
> 
> Postdoctoral Associate
> 
> Geophysical Laboratory, Carnegie Institution for Science
> 
> 5251 Broad Branch Rd. NW, Washington, DC 20015, USA
> 
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-- 
 Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
 Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
 Phone +39-0432-558216, fax +39-0432-558222