[QE-users] Problem of convergence

[De Gary, Alban]

Dear users and devlopers,

I am trying to determine cohesive Energy of Urea.
I created inputs for a bulk (according to cif file) and isolated molecule.
Unfortunately, it is hard to make it converge... I tried to optimize as much as possible every factor adapted to my problem, but I'm really stuck
Can you have a look on my inputs and tell me what's wrong please ?

Best regards,
Thank you in advance for your answers
Alban


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