[Pw_forum] meta-GGA (TPSS) PP generation code
giannozz at democritos.it
Sat Jun 26 18:01:56 CEST 2010
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
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
and the will to do it. I'll send you a copy of it.
Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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