how to generate .cube files at the multiple iterations

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Forum Vet

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://nwchemgit.github.io/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.