From NWChem
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| 3:04:30 PM PST - Mon, Feb 17th 2014 |
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Hi, All
I am trying to get the charge density cube file for a large number of atoms.
dplot
LimitXYZ
-7.0 7.0 600
-7.0 8.0 600
-6.0 6.0 500
spin total
gaussian
output chargedensity.cube
end
This first error I met was"DPlot: Failed to allocate grid 0",so I increased the memory. Then I still got the error"DPlot: Failed to allocate values 0". Could anyone please tell me how to fix this problem?
regards
Philip
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