If you download pslibrary, PAW pseudo potentials for all elements are available to Quantum-ESPRESSO calculations (http://www.qe-forge.org/gf/download/frsrelease/147/493/pslibrary.1.0.0.tar.gz <http://www.qe-forge.org/gf/download/frsrelease/147/493/pslibrary.1.0.0.tar.gz>), both LDA and GGA. Such a library contains automatic scripts that call the ld1.x code to produce the pseudo potentials you need, for which the input files of ld1.x are all available.
I’ve experience of comparison of VASP calculations with Quantum-ESPRESSO for just one system (so not statistically meaningful!!!), but in that case the comparison were not only qualitative, as it should be and I would expect!!!! > On 17 Jul 2015, at 06:53, James Mao <[email protected]> wrote: > > Dear All, > > I would like to confirm calculation results from VASP using QE > (qualitatively, but as quantitatively as possible). To achieve this purpose I > need use pseudo potentials as similar as possible from each other. I do > realize it is not allowed to directly convert VASP pseudo potentials into > UPF. I am wondering, which available sets of UPF are most similar to VASP's > build-in pseudo potentials (PAW-GGA, PAW-LDA, PAW-PBE)? If they are not > available, can anyone give me some possible suggestion of using LD1.X to > produce them? > > Thank you very much! > > James > > _______________________________________________ > Pw_forum mailing list > [email protected] <mailto:[email protected]> > http://pwscf.org/mailman/listinfo/pw_forum > <http://pwscf.org/mailman/listinfo/pw_forum> -- Giovanni Cantele, PhD CNR-SPIN c/o Dipartimento di Fisica Universita' di Napoli "Federico II" Complesso Universitario M. S. Angelo - Ed. 6 Via Cintia, I-80126, Napoli, Italy e-mail: [email protected] Phone: +39 081 676910 Skype contact: giocan74 ResearcherID: http://www.researcherid.com/rid/A-1951-2009 Web page: http://people.na.infn.it/~cantele
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