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 ?
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Urea_bulk.pw.in
Description: Urea_bulk.pw.in
Urea_isolated.pw.in
Description: Urea_isolated.pw.in
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