[maj]

Hi!

I am trying to create Electron density maps for the ground and excited states of PLP, Pyridoxal phosphate. From the reading and researching I have done, we can only find the Density Matrix of a molecule if we have a formatted checkpoint file or a check point file.

I have been trying to get the formatted check point file by writing "formcheck" into gaussian's "additional keyword" command - when I run the calculation. The only thing is that the .fch file is not created - I have tried it several times and it just isn't working.

So my question is: is there any way I can find the density maps without the checkpoint file or a formatted checkpoint file?
Or is there another way of creating those checkpoint files or formatted checkpoint files?

[zaforitos]

The following command will produce the formatted checkpoint file "filename.fchk" from the checkpoint file "filename.chk":

$ formchk filename.chk filename.fchk