[Pw_forum] conflicting values icorr /igcx
joerg.buchwald at iom-leipzig.de
Wed Nov 2 00:20:26 CET 2011
Am Tue, 1 Nov 2011 22:04:42 +0100
schrieb Paolo Giannozzi <giannozz at democritos.it>:
> 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
that's actually logical.
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