[CP2K:7485] Re: SCF run NOT converged
Cindy Putri Arinta
cputri... at gmail.com
Wed Mar 9 08:32:35 UTC 2016
Ok mr. Rizwan Nabi
Thank you very much, you have helped me. I will learn again again and again.
On Mar 9, 2016 11:09 AM, "Rizwan Nabi" <rizwan... at gmail.com> wrote:
> Hi Cindy Putri Arinta
> Sorry, I do not have any idea regarding the negative value of HOMO-LUMO
> gap. Moreover SCF may not be always converged after each run but in the end
> you should get SCF converged.
>
>
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