[Pw_forum] This is a supercell, fractional translations are disabled
anjalisinghromi at gmail.com
Tue Jun 9 06:58:29 CEST 2015
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
Material Theory Group
Theoretical Science Unit
Jawaharlal Nehru Centre for Advanced Scientific Research
Jakkur,Bangalore 560 064
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