[Pw_forum] the problem of scf convergence

Paolo Giannozzi giannozz at nest.sns.it
Thu Sep 13 09:27:46 CEST 2007

On Sep 13, 2007, at 6:23 , hyello25 Qgrui wrote:

> Is 200ev Ry too high for USPP?

"200ev" or "200Ry" ? there are two cutoffs for US PP, one for
KS orbitals (ecutrho), one for the augmentation charges
(ecutrho >= 4*ecutwfc). 200Ry for the former is a lot, for the
latter it is not that much

Paolo Giannozzi, Democritos and University of Udine, Italy

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