6:43:44 AM PDT - Thu, Aug 29th 2013 |
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Dear All,
I've just started to play a bit with NWChem and I am still a bit struggling with the code...
In the plane wave calculations, I use a quite dense mesh to sample the BZ - as a result the eigenvalues are not printed for all the k-points (the code gives me following: "orbital energies not printed - number of k-points is very large"). Could anybody tell me how to increase the verbosity of the output?
"Print high" command does not help...
Thanks in advance!
Vojtech
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