[Thermo_pw-forum] Laue class not available

Andrea Dal Corso dalcorso at sissa.it
Thu Feb 4 11:06:37 CET 2021


This usually means that some symmetry has not been found
and the code does not recognize the laue class of the system.

You need to check on the output if the symmetry is the one that you  
expect and if not why.

Andrea



Quoting Hilal KÜÇÜK <hilalkucuk at gazi.edu.tr>:

> Dear All,
>
>
> When I use thermo_pw on quantum esppresso to calculate elastic  
> constants of MgTiO3
> , I take below error
>
>
>
> Error in routine initialize_elastic_cons (1):
>
> Laue class not available
>
>
>
>
> I put my input and thermo_control on the attachment. Why does it happen?
>
>
>
>
> In advance thanks for helping.
>
>
>
>
> Best wishes





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