[QE-users] FCC unit cell not identified as ibrav = 2

KRISHNENDU MUKHERJEE krishnendu at nmlindia.org
Sun Oct 2 04:33:12 CEST 2022


Dear community, 

When I input the unit cell of FCC (8 corner atoms and 6 face-centered atoms), Quantum Espresso does not recognize it as FCC ( ibrav = 2). 

Kindly suggest. 

Regards, 
Krishnendu Mukherjee 

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