how to generate .cube files at the multiple iterations

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  • Bert Forum:Admin, Forum:Mod, NWChemDeveloper, bureaucrat, sysop
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1:25:46 PM PDT - Thu, May 5th 2011
I think you need to do a "task pspw_dplot" AND the dplot input block needs to be in the nwpw section. See http://www.nwchem-sw.org/index.php/NWPW#PSPW_DPLOT for details.

Bert


Quote: May 3rd 6:51 pm
I forgot to mention the version of NWchem I'm using. I'm using ver. 5.1.1.


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