[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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