[Pw_forum] Force criteria for relaxation
Payam Norouzzadeh
payam.norouzzadeh at gmail.com
Fri Apr 13 00:32:44 CEST 2012
Dear Dr.Fratesi
Thank you for your attention.
It reached to max number of steps while I set it 1000 and it is wired.
The number of atoms in the system is 54.
These lines are before the last SCF in output:
The maximum number of steps has been reached.
End of BFGS Geometry Optimization
Best regards,Payam Norouzzadeh
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