I am a new user running NWCHEM 6.8.1 on a Windows 10 Laptop, 6 GB memory. Using DPLOT I want to generate a .cube file for plotting using a .movecs file from an SCF or DFT calculation as input. The Windows version of NWCHEM is from the Windows zip file found on the GitHub download site. When I run the script, the SCF or DFT calculation completes, but I receive the following messages:
NWChem Input Module
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dplot_input is not in this build of NWChem 0
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current input line :
19: DPLOT
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A feature requested has not yet been implemented
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For more information see the NWChem manual at http://nwchemgit.github.io/index.php/NWChem_Documentation
The documentation to which the message refers is the older 6.6 version documentation.
In the command line box, the following message also appears
0:dplot_input is not in this build of NWChem:Received an Error in Communication
application called MPI_Abort(comm=0x84000000, -1) - process 0
Is the Windows installer missing DPLOT entirely, or is it simply missing a single essential file, dplot_input?
Is there a work-around to create the .cube file from a .movecs file?
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