[Pw_forum] Force criteria for relaxation
Payam Norouzzadeh
payam.norouzzadeh at gmail.com
Thu Apr 12 17:03:19 CEST 2012
Dear QE users
I have a quick question:
I set
etot_conv_thr = 1.0E-9
forc_conv_thr = 1.0D-4 ,
in vc-relax procedure but the job ended when
Total force = 0.016813 Total SCF correction = 0.000067
How is it possible? Do I have to add some other flags to reach smaller
forces?
Best regards,
Payam Norouzzadeh
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