On Aug 1, 2010, at 6:34 , Vi Vo wrote: > I am learning how to generate a pseudo potential (PP) from the > tutor notes. I don't know based on what criteria to chose the > "rlderiv" at which ""nld" logarithmic derivatives are calculated.
I would choose something in the order of half a typical bond-bond distance P. --- Paolo Giannozzi, Dept of Physics, University of Udine via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
