[CP2K-user] [CP2K:21581] Error With Large NEGF Calculation

[Michael LaCount]

Hello,

I am working on trying to see how large I can scale a NEGF calculation. In 
a similiar setup to the 
cp2k/tests/QS/regtest-negf-fft/au111_c6h4s2_kpoints_0.50V.inp example. That 
is the contacts are performed as a seperate force_eval with k_points, and 
the entire system has a force_eval that does not use k_points.

I've successfully pushed the system size up to 15.95A x 15.61A x 71.77A 
without issue. When I push it further to 77.29A long, I am getting an error 
"NEGF K-points are not currently supported", The only changes I made were 
to the cell dimensions and the atomic coordinates.

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