Re: NaNf in ndb.RIM_W causing NaN's in QP energies
Posted: Fri Apr 28, 2023 9:05 am
Dear Franz,
I can's spot anything wrong in your report setup.
Looking at the report of PPA posted some days ago, I see you are using XTermKind= "BG" .
Can you repeat the calculation and see the behaviour of eps^-1 setting XTermKind= "none".
in general, I suggest to not use the Xterm, it is not robust and it is memory intensive, so at the end of the story you not gain much.
I do not know if it is causing problem and giving you the unphysical behaviour.
Best,
Daniele
I can's spot anything wrong in your report setup.
Looking at the report of PPA posted some days ago, I see you are using XTermKind= "BG" .
Can you repeat the calculation and see the behaviour of eps^-1 setting XTermKind= "none".
in general, I suggest to not use the Xterm, it is not robust and it is memory intensive, so at the end of the story you not gain much.
I do not know if it is causing problem and giving you the unphysical behaviour.
Best,
Daniele