kondor.jess at gmail.com
Tue May 29 17:06:06 CEST 2007
> if you want to converge the geometry tightly, you have to converge
> the wavefunction even more tightly. also, you may run into 'ripples',
> particularly when using ultra-soft pseudopotentials.
> in that case, you may also need to crank up the density cutoff.
Thank you for suggestions, I'll try it. By the way, I use ecutwfc=35 Ry, and
ecutrho=350 Ry, I think it was enough for ultrasoft PP.
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