[Thermo_pw-forum] problem related to" Laue class not available"

Andrea Dal Corso dalcorso at sissa.it
Mon Aug 23 10:10:08 CEST 2021


Follow the suggestions given by thermo_pw in the output.
Some symmetries are missing, so find out why or use the ibrav  
suggested by thermo_pw if you think that the symmetries are correct.  
Unfortunately the elastic
constants routines are supposed to work for solids. They might have  
problems with monolayers.

Andrea

Quoting anisha lamba <anishalamba2 at gmail.com>:

> Greetings Sir, Sir i am using thermo_pw 1.4.0 for the of calculation
> hexagonal monolayer having ibrav = 4.
> after completing the most of calculations, it show an error
>
>
>
> *task #         0from initialize_elastic_cons : error #         1Laue class
> not available*
>
> Please, suggest me what should i do?
> Thanks in advance.





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