[Pw_forum] Force criteria for relaxation

[Payam Norouzzadeh]

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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20120412/6a40b784/attachment.html>