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Visualization of densities and Density analysis

As most other programs which allow for the calculation of wavefunctions and densities also the ricc2 module is interfaced to wavefunction analysis and visualization toolbox described in chapter 12. From ricc2 module this interface can used in two different ways

  1. If through the geoopt keyword in $ricc2 a unique method and state has been specified for which the density, gradient and properties are evaluated, the density analysis and visualization routines will called by default with the (orbital-relaxed) density for this state and method similar as in dscf, ridft, mpgrad, etc.
  2. The ricc2 program can be called in a special analysis mode which allows to analyse densities and combination (e.g. differences) of densities evaluated in preceeding ricc2 calculations.



Subsections

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