[QE-users] vc relaxation giving weird results

naval singh navalsingh133 at yahoo.com
Thu Sep 22 07:08:31 CEST 2022


dear all, here i am trying to relax a borophene 2 d structure typically beta12 borophene but when i vc relax it the cell expands and the atoms disperse and latr when the cell shrinks the atoms move further away ruining the geometry , i am being a new user cants figure out what is wrong with the code any hints and suggestions
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