Re: Error with “ADDED_MOS” keyword for Mg Energy-Force Calculation
fquesada
feliped... at gmail.com
Wed Jul 19 09:24:50 UTC 2017
Dear Matt,
thank you for your response. I included the "KPOINTS" section under "DFT"
in my code:
______________________________________________________________________________
&KPOINTS
SCHEME MONKHORST-PACK 12 12 8
&END KPOINTS
______________________________________________________________________________
It seems like the problem is still persisting. Do you have any further
suggestions how to work around this issue?
Best,
Felipe
On Wednesday, July 19, 2017 at 10:14:52 AM UTC+1, Matt W wrote:
>
> Hi,
>
> with your minimal basis set you do not have any extra orbitals to add. You
> need a bigger basis set (and unit cell, or k-points).
>
> Matt
>
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