From NWChem
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Forum Regular
Threads 43
Posts 209
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| 3:18:00 AM PDT - Sun, Jul 9th 2017 |
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Dear NWCHEM developers
It is very possible that the active-space CR-EOMCCSD(T) method should be chosen so that the results would be in line with those obtained by GAMESS.
What do "emin_act -0.5" and "emax_act 1.0" mean on the first two lines on p.295 in NWCHEM6.6 input documentation?
Could you please explain them to me?
Thanks a lot!
Very Best Regards!
Thanks!
I got it from the document.
The two together define the energy window.
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Edited On 4:27:50 PM PDT - Mon, Jul 10th 2017 by Xiongyan21
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