[Pw_forum] meta-gga implemented only for all-electron case
paolo.giannozzi at uniud.it
Mon Jun 17 11:10:53 CEST 2013
On Fri, 2013-06-14 at 20:08 +0400, Nguyen Chuong wrote:
> I want to create a new pseudopotentials for Al for metal-GGA
> calculations, but i have got a problem when running: meta-gga
> implemented only for all-electron case. I have QE 5.0 version in PC.
> Can you tell me how i can fix this problem?
by implementing generation of meta-GGA pseudopotentials. There is
an old code that circulates but it has never been brought into the
Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
More information about the users