grid list: Too many quadrature shells
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Just Got Here
7:41:24 AM PDT - Mon, Jul 2nd 2012
Good morning,
I'm trying to run a large DFT calculation and I get the following error message:
grid_list: Too many quadrature shells.
followed by:
grid_list: raise MXqshells to 90001
Any idea how I can fix this? (I can't find anything about
MXqshells
in the manual).
Thanks,
Vincent