Posted by Leon Freitag on December 03, 2013 at 15:35:32:
I am looking for a way to convert the .grid files produced with the GRID_IT module to Gaussian cube files.
I need this to visualise difference density of two states calculated with CASSCF. So far, I managed to produce a difference density file with
molcas gv 1.grid -a 2.grid
and gv produces the difference density file
I can display it in gv but cannot save in another format (which would ideally be the Gaussian cube, which is easily understood by other programs). Is there any solution to this?
Best wishes and thanks in advance
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