[Pw_forum] ZnO- meta gga problem

Paolo Giannozzi p.giannozzi at gmail.com
Fri Apr 22 18:45:05 CEST 2016


On Fri, Apr 22, 2016 at 4:45 PM, chaitanya varma <chvar81 at yahoo.co.in>
wrote:

Please help me in understanding the problem, where i was going wrong.
>

maybe there is nothing wrong in what you did: meta-GGA is notoriously
unstable numerically and prone to failures. It's a known problem with no
known solution.

Paolo
-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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