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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