From NWChem
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| 8:55:13 AM PST - Wed, Jan 28th 2015 |
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I would like to make a cube file with HOMO / LUMO density that takes into consideration CCSD(T) electron correlation (not just SCF density), is there a way to do it?
I have tried to use a
vectors output filename.movecs
command inside the TCE block, but it doesn't work, is there another way?
Thanks,
Andreas
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Edited On 8:57:25 AM PST - Wed, Jan 28th 2015 by Extremis
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