Orbital and Density Plots

Keywords of the Plot input block

Keyword	Format	Description	Default
ORBS	vector(integer)	Defines the list of orbitals that will be plotted.
GRIDPOINTS	vector(integer)	Three values must be given that define the grid points for the plot in the x-, y- and z-direction.	40 40 40
RANGE	vector(double)	Six values must be given that define the range of the plot grid (in Å) in the three spatial directions according to the following order: xmin xmax ymin ymax zmin zmax. As the program identifies suitable ranges automatically, it is advised to not use this keyword at all	-7.0 7.0 -7.0 7.0 -7.0 7.0
PLOTDENSITY	bool	If set to true the density of each root and every transition density will be plotted.	false
PLOTSPINDENSITY	bool	If set to true the spin density of each root and every transition spin density will be plotted.	false
DENSITYFILENAME	string	The name of the file that contains the density.	Density.tmp
SPINDENSITYFILENAME	string	The name of the file that contains the spin density.	Spindensity.tmp