[Pw_forum] Re: cut-off radius for radial integrations
Paolo Giannozzi
giannozz at nest.sns.it
Tue Feb 22 23:16:35 CET 2005
On Tuesday 22 February 2005 14:46, Virginie Quequet wrote:
> I tried for silicon with the input of example01 (david) with a
> pseudo-potential with non-local part defined up to 60 a.u.
I don't see any significant difference in results for 4 < rcut < 60 in
PW/setup.f90. What do you mean exactly by 'a pseudo-potential
with non-local part defined up to 60 a.u.' ?
Paolo
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Paolo Giannozzi e-mail: p.giannozzi at sns.it
Scuola Normale Superiore Phone: +39/050-509876, Fax:-563513
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