[Pw_forum] The influence of mixing_beta in scf calculation and alpha_mixing in phonon calculation

[黄志硕]

Dear all users,

When encountering the convergence problems, the most suggested thing is to change the mixing parameters in scf calculation. But I wonder if changing mixing data (mixing_beta in scf calculation, and alpha_mixing in phonon calculation) could influence the accurate of the results, like total energy, Fermi level?

Best regards
Zhishuo Huang

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20171220/dab6b986/attachment.html>