I am busy trying to do density calculations in Gaussian16 as I need the .cube output for input to the PIXEL software. But my Gaussian output seems to be missing an entire chunk of data and I don't know why.
The output is supposed to look like:
However, my output is missing the entire chunk of electron density data, formatted as 6E13.5 (the block of floating point values indicating electron density at each point in the block).
My input in the route section is
#MP2/6-31G** guess=core NoSymm Pop=MK Density=MP2
And I use the following to generate the .cube file
Formchk NAME.chk NAME.fchk
Cubegen 0 NAME.fchk NAME.cube 0 h
Am I missing a keyword/command to include the electron density data?
kind
keyword in your cubegen command @thalsit $\endgroup$ – Tyberius Mar 19 '19 at 18:50kind
keyword solved the issue $\endgroup$ – thalsit Mar 20 '19 at 7:19