Do you know how to enlarge the grids to plot the wavepacket from DD-vMCG if originally the grid was defined in the input as from -2 to 2 normal mode units ?
Ah yes a different problem. Showsys should cope with it, but may not. The problem is that all the analysis programs expect the wavefunction on a grid, so that is wht is provided. Of course in the simulation the GWPs can go where they like, and the full form is stored in psi so the information is all there. Showsys should be able to change the grid from the original, but I will check if this is working properly.
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Showsys in the latest master branch (commit 24/11/24 ffc2ff80) can now plot the wavepacket / density for GWPs on any grid.