potential

Electrostatic potential of specific density channel to be used as a subcommand of the cube command This command can appear in the global context.

Options

file

Specify the name of file to which data is written. If no file specified, cube file is written in the output stream.

• The type is string
• There is no default value.

spin

Spin channel to evaluate

• The type is string
• The default is total
• The value must be one of:
  • total - Total density
  • alpha - Alpha spin density
  • beta - Beta spin density
  • difference - The difference between alpha and beta densities a.k.a. the spin density