Dear all,
While running QE, I am getting following warning
Found symmetry operation: I + ( -0.5000 0.0000 0.5000)
This is a supercell, fractional translations are disabled
But I am doing calculation for bulk not for supercell.
Fractional translations are disable thats why I am not getting correct
space group or symmetry.
The system I am working on have symmetry D2h but it shows C2h as fractional
translation is not allowed.
Can somebody help me in fixing this problem?
--
With Thanks and Regards
Anjali Singh
Material Theory Group
Theoretical Science Unit
Jawaharlal Nehru Centre for Advanced Scientific Research
Jakkur,Bangalore 560 064
India
_______________________________________________
Pw_forum mailing list
[email protected]
http://pwscf.org/mailman/listinfo/pw_forum
