From NWChem
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Just Got Here
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| 7:53:10 AM PST - Mon, Nov 3rd 2014 |
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Dear NWChem community,
I am trying to do a MCSCF calculation and want to output the One- and Two-particle density matrices. When using the following input file it works, but also adds a lot of output that i don't need.
start h2-mcscf
echo
title "HF H2"
print none
basis
* library def2-tzvp
end
geometry noautoz
symmetry c2
h 0 0 0
h 0 0 1.0
end
task scf
title "MCSCF H2"
print debug
mcscf
active 12
actelec 2
multiplicity 1
end
task mcscf
Now when i try to use print none "density matrix" instead of print debug I think it should only output the One- and Two-particle density matrices, but it does not. It just produces the same output as obtained with print none
How can i output only the One- and Two-particle density matrices?
Thank you
Regards
Frank
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