27 July 2023 2 5K Report

I'm facing a problem with vc-relax optimization. Our structure is hexagonal and I apply a vacuum in the z-direction for 2D material and run this optimization. After optimization, the vacuum decreased very fast and the structure went to bulk, After this problem, I changed in the input file in $Cell cell_dofree= 'xy' but had some error

task # 0

from checkallsym : error # 2

not orthogonal operation

then what I do . if have have any suggestions regarding this problem please help me. I searched a lot but didn't get any solution for this problem.

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