Command ViewOrb

Comand format

ViewOrb 'ExpOrb' OrbUse [OrbComponent]

or

ViewOrb 'ResWvFun' [OrbComponent]

or

ViewOrb 'DPot'

or

ViewOrb 'DPotPos'

This command takes a computed molecular orbital or resonance wave function and writes it out in a form that can be plotted. The output can be either on a Cartesian grid using the data record ViewOrbGrid, in spherical polar coordinates using the data record ViewOrbGridSph, or as partial waves using ViewOrbPartialWave

The command FileName is used to select what is written out and where it is put.

Data records used

Examples of use