[Pw_forum] conflicting values icorr /igcx

Paolo Giannozzi giannozz at democritos.it
Tue Nov 1 22:04:42 CET 2011

On Nov 1, 2011, at 20:19 , joerg.buchwald at iom-leipzig.de wrote:

> I'm using QE 4.3.2 and as pseudopotentials, i tried nearly all ncpp
> which are in the pseudo package from the QE site: e.g. Al.pbe- 
> rrkj.UPF,
> Al.pz-vbc.UPF, O.blyp-mt.UPF, O.pz-mt.UPF.

if you use PP generated with different XC, you need to specify which XC
you want with input variable "input_dft". It works for me (see attached)
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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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