[QE-users] Systematically improve surface slab phonons - any "trick"?

Dear all, Thanks to help of Thomas Brumme and others I got some decent results for phonons of 2D systems, but it is a bit of a hit or miss approach and I am not sure how to systematically improve the results ("phonon dispersions"). There are a few things that seem to be quite reliable - vc-relax

Re: [QE-users] Error c_bands eigenvalue not converged

Hi Mahdie, without any input hard to say.. things that might help: - increase k points - increase cutoff - change mixing_mode and lower mixing_beta - select 'cg' style diagonalization good luck! Chris On Tue, May 1, 2018 at 12:00 PM, wrote: > Send