[Pw_forum] Pw_forum Digest, Vol 48, Issue 71

Paolo Giannozzi giannozz at democritos.it
Tue Jun 28 19:50:58 CEST 2011

On Jun 28, 2011, at 18:58 , Nicola Marzari wrote:

> 1) the converter fhi2ups might have been changed in the last 5 years,
> but now things work properly

it has changed, even recently, but I haven't seen anything justifying
weird results. I remember however there have been reports of funny
results with the fhi converter also in the past. Moreover, no later than
two weeks ago, I got strange results with fhi converted LDA Si and O
PP from Abinit tables.

> 2) we should remove O.pbe-mt.UPF from the pseudo table, and
> replace it with a O.pbe-mt-new.UPF, that is your O.cpi.UPF.

will be done

Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222

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