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12:45
@pH13-YetanotherPhilipp We don't need Gaussview! You can visualize the results directly in MMA
also, from reading it, I think it is the -1 option you need, not the -5 option
For instance, if I have a formatted checkpoint file, furan1.chk
Then I can make a potential grid using cubegen, where the grid starts at the point {1.0, 5.0, 5.0} (atomic units), and has 21 grid points in the x direction, 20 grid points in the y direction, and 19 grid points in the z direction, with {dx, dy, dz} = {.1, .2, .3} by using the following command:
cubegen 1 potential furan1.fchk furanpotfine2.cube -1 < grid.dat
where grid.dat is the following file:
-1 1.0, 5.0, 5.0
-21, -.1, 0.0, 0.0
20, 0.0, -0.1, 0.0
20, 0.0, 0.0, -0.1

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