Dear all, I have one query. I am getting "*SCF correction compared to forces is too large, reduce conv_thr*" this kind of message in output file. What I am suppose to do now? Shall i stop the calculation in between and reduce the conv thr, or shall i let it run to completion?? thanks in advance regards artee -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090321/37c7d5b9/attachment.htm
- [Pw_forum] SCF correction compared to forces is too l... artee sharma
- [Pw_forum] SCF correction compared to forces is ... artee sharma
- [Pw_forum] SCF correction compared to forces... Yan
- [Pw_forum] SCF correction compared to forces... Stefano de Gironcoli
- [Pw_forum] SCF correction compared to fo... Asha gupta
- [Pw_forum] SCF correction compared t... Stefano de Gironcoli
