[QE-users] Fixing of positions of axis in 2-d materials

naval singh navalsingh133 at yahoo.com
Mon Sep 19 15:07:35 CEST 2022


Hello all,i am working on 2 D sheet and i was confused about one thing that whether one should fix the z -coordinate doing relaxation(not vc-relaxation ) for  calculation , and in which conditions do we fix the positions except for slab model
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