[QE-users] Gamma point calculation

Yuvam Bhateja yuvamb16 at gmail.com
Tue Aug 4 06:22:28 CEST 2020


Hello everyone,

Hope you are well.

I am trying to optimise supercell of Cr2O3 and what to know, if it's safe
to do gamma point calculation?
Will I get different structure if instead of gamma I use a 3X3X1 grid or
else?

Regards
Yuvam Bhateja
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