Hi There, I am a new user in quantum espresso , thus I would like to ask one question how do the default values in the quantum espresso manuals have been choosed? I mean to say that in quantum espresso manuals we find forc_conv_thr =1.0D-3 conv_thr =1.0D-6 etot_conv_thr=1.0D-4
How did the values calculated? Thanks Shaptarishi -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090831/23296440/attachment.htm
