Category: ORCA

1 1638  0 Comment on Plotting molecular electrostatic potential surfaces (MEPS) with ORCA
Posted in Notekeeping ORCA

Plotting molecular electrostatic potential surfaces (MEPS) with ORCA

The orca_vpot program calculates the electrostatic potential for a set of points provided by the user. But it can be boring or hard. here is how you can do it.

0 884  0 Comment on Non-Interactive plotting using orca_plot
Posted in Notekeeping ORCA

Non-Interactive plotting using orca_plot

ORCA provides a convenient way to plot orbitals and densities in the form of a small binary called orca_plot. Here is how to use it more conveniently.