> > in the usual place: the QE pseudopotential page. There is just one: > http://www.quantum-espresso.org/wp-content/uploads/upf_files/Zn.pz-spd-hgh.UPF > LDA, converted from Goedecker/Hartwigsen/Hutter/Teter format. > Presumably requires no less than half a zillion Ry cutoff. > Haha. I remember using it for ZnO and trying to see where the total energy would converge with respect to ecutwfc. Even 200 Ry was only mildly tolerable.
Vi -- Vinay Ishwar Hegde Graduate Student Theoretical Sciences Unit (TSU) Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR) Jakkur, Bangalore 560 064 Email: vinayhegde at jncasr.ac.in Phone: +91-96639-92336
