On Jun 26, 2010, at 24:04 , yuning wu wrote: > Does anybody have this meta-GGA (TPSS) PP generation code which was > implemented in old version? I need it to generate PP and do test.
once upon a time I wrote an extension of the pseudopotential generation code to the meta-GGA case. It went missing when I moved back to Pisa. Not a big loss, though: that code was numerically unstable. Later Xiaofei Wang, then PhD student in Princeton, wrote a new version that he later sent to me for inclusion in the QE distribution, but I never found the time and the will to do it. I'll send you a copy of it. Paolo --- Paolo Giannozzi, Dept of Physics, University of Udine via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
