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

Sanjay D. Gupta guptasanjay.56 at gmail.com
Tue Jun 5 11:52:09 CEST 2012


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
...........................................................
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20120605/f209f44c/attachment.html>


More information about the users mailing list