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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