The version that Savas had attached worked correctly for me. His version included the exact same content in its body but also had some header info not present in the version online (PP_HEADER and PP_MESH). As an experiment, I tried adding this header information to the version I had that didn't work, and after this it worked properly.
I'm still working on learning how to build pseudopotentials myself. On 3/15/2012 2:40 AM, Paolo Giannozzi wrote: > > On Mar 15, 2012, at 24:07 , Jonathan Trinastic wrote: > >> Thanks for the help! I've got it working now. > > you've got it workin now...how? what was the problem? > > P. > --- > Paolo Giannozzi, Dept of Chemistry&Physics&Environment, > Univ. Udine, via delle Scienze 208, 33100 Udine, Italy > Phone +39-0432-558216, fax +39-0432-558222 > > > > -- Jonathan Trinastic, M.S. Graduate Student Department of Physics University of Florida
