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 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120412/afd6f53d/attachment.htm
