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