From NWChem
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| 5:59:33 AM PDT - Mon, Jul 31st 2017 |
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Hi,
Iv'e been doing some Raman freq calculations and noticed that the plot has a constant number of points, regardless of freq range. is there a possibility to add a keyword to control it for each run? currently i had to edit the Raman.F file and recompile in order to change it.
Thank you in advance,
Afik
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