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flexible-atomic-code / fac

FAC - Flexible Atomic Code by Ming Feng Gu
GNU General Public License v3.0
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"enlarge norbmap2" error during collisional excitation #674

Closed DrRyanC closed 8 months ago

DrRyanC commented 8 months ago

Hello.

While trying to calculate collisional excitation, FAC keeps returning the following error:

"too many free orbitals, enlarge norbmap2: 5000 >= 5000"

I have been unable to find any reference to an "norbmap2" parameter in the manual.

Furthermore, it appears I can temporarily bypass this by decreasing the size of the user CEGrid for some charge states. However, this error still appears when defining as little as 4 grid points.

Any help would be greatly appreciated!

mfgu commented 8 months ago

can you try the latest master branch, not the released 1.4 version?

DrRyanC commented 8 months ago

That did the trick. Thank you, Ming.