[Pw_forum] will mixing_beta affect the calculation result?
duchl06
duchl06 at 163.com
Sun May 31 23:18:26 CEST 2009
Dear pwscf users
i thought the mixing_beta only affect the convergence velocity, but when i did a scf calculation recently, i got different result using different mixing_beta (the total energy have a disparity about 0.03ry when the mixing_beta chosen 0.7 and 0.2, this is very huge ), i do not know what happened.
will mixing_beta affect the calculation result?
are there any error in my calculation or i have a misunderstanding on the mixing_beta?
thank you!
Du
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090601/e57ae53e/attachment.htm
More information about the Pw_forum
mailing list