[Pw_forum] question about the wrong point group symmetry operation recognized by pwscf

Sanjay D. Gupta guptasanjay.56 at gmail.com
Tue Jun 5 12:00:13 CEST 2012


Dear Sir,
I am happy to say that the problem has been solved just by applying the
second solution suggested by Lorenzo Paulatto and  Stefano Baroni.

With Kind Regards

Sanjay D Gupta

~Best Regards
...........................................................
Sanjay D. Gupta
Research Fellow
Department of Physics,
Bhavnagar University, Bhavnagar-364 022
Gujarat, Mobile-9879666643
email:guptasanjay_56 at yahoo.co.in
...........................................................


On Tue, Jun 5, 2012 at 3:22 PM, Sanjay D. Gupta <guptasanjay.56 at gmail.com>wrote:

> Respected Sir,
> Thank you very much for taking interest in my problem, to realizing me my
> mistakes and giving me valuable suggestions.
> We are trying to overcome this problem by second solution suggested by
> Lorenzo Paulatto and  Stefano Baroni by overwriting the default values of
> grid dimensions fft grid by hand in order to make the fractional
> translation commensurate with our need.
>
> With Kind Regards
>
> Sanjay D. Gupta
>
>
> ~Best Regards
> ...........................................................
> Sanjay D. Gupta
> Research Fellow
> Department of Physics,
> Bhavnagar University, Bhavnagar-364 022
> Gujarat, Mobile-9879666643
> email:guptasanjay_56 at yahoo.co.in
> ...........................................................
>
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