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 > attached) Thanks, that's actually logical. cheers, j?rg
