cell_opt issues
Luca Dau
luca.d... at gmail.com
Mon Apr 24 09:57:10 UTC 2017
Dear Developers
I am trying to optimize the cell of a 6x6x4 h-BN supercell. My problem is
that the energy increases instead to decrease.
I made many tests but I am not able to find the solution to this issue. I
have attached input and geo.
Furthermore I have a similar problem with a supercell of metallic Ti.
Could you please help me?
Thank you in advance.
Luca
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