Re: [QE-users] hybrid HSE much more stable convergence with PAW than NC

This is quite surprising: there has been much more development work on hybrid functionals with NC PP than with PAW. If you have simple cases of NC PP calculatons failing for no apparent good reason, please report them (preferrably on gitlab.com) Paolo On Mon, Sep 17, 2018 at 12:03 AM, Christoph

[QE-users] hybrid HSE much more stable convergence with PAW than NC

Dear all, I found something rather curious and I was wondering if this is systematic or a glitch. When working with hybrids (HSE06) PAW pseudos work much better than NC despite everything else (equilibrium structure, bands, phonons) being virtually identical. Is there a reason for PAW showing