[Pw_forum] SCF correction compared to forces is too large.

Sonu Kumar 1009ukumar at gmail.com
Fri Dec 23 05:47:33 CET 2011


Dear all QE users,

During optimization, i got following message:

 Total force =     0.000004     Total SCF correction =     0.000001
 SCF correction compared to forces is too large, reduce conv_thr

Total force is  less than total scf correction. Then why the message
is contradicting? I used  conv threshold for scf=1.0d-10.

Thank you.

regards,

==========================================
Sonu Kumar
Phd Student,Physics Department
Indian Institute of Technology ,Delhi-110016, India
web:-http://www.iitd.ac.in/
==========================================



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