[Pw_forum] ecut dependence of symmetry operations(?)

[Madhura Marathe]

 Thanks Kun Yin and Lorenezo.

 I checked the output files and saw the warnings related to FFT at the
start of the output file for which I get less number of symmetry
operations.

 Best wishes for new year,
 Madhura.

> Quoting Madhura Marathe <madhura at jncasr.ac.in>:
>>  Dear all,
>>
>>  While performing convergence calculations w.r.t energy cut-off for a
>> bulk
>> system, I found that the number of symmetry operations detected by a
>> code
>> is different depending on the value of ecut. This is very surprising
>> because for the same system, the symmetries should not depend on the
>> ecut
>> value.
>
>
> Dear Madhura,
> your question is the complementary one to a Frequentedly-Asked
> Question (FAQ), when the code suppresses some symmetry operation
> because they are incompatible with the FFT grid a warning is issued.
> See this page <http://quantum-espresso.org/user_guide/node57.html> for
> more details.
>
> regards
>
>
>
> --
> Lorenzo Paulatto
>
> formerly at:
> SISSA  &  DEMOCRITOS (Trieste)
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> www:   http://people.sissa.it/~paulatto/
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-- 
Madhura Marathe,
PhD student, TSU,
JNCASR, Bangalore.
India.
Phone No: +91-80-22082835