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Input

The input for densf is keyword oriented. The keywords may be specified in any order with one exception: INPUTFILE, if present, must be specified before any other option. Reading input by densf ends when it encounters the record EndInput or the end-of-file, whichever comes first.

The current version of densf does have reasonable defaults for all input. That means that in many cases you probably will not need to specify any input at all.

Below follows a list of the allowed keywords with their description.

Input/Output files
Grid
Inline Grid
Units
Density
Kinetic Energy Density and Electron Localization Function (ELF)
Laplacian of the Density
Gradient of the Density
Hessian of the Density
Potential
Orbitals
NOCV
Generic orbitals
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