[CPMD-list] Molecular orbitals in excited states

[Łukasz Walewski]

Hi,

It seems that my email sent on Tuesday 2006-11-14 00:45 got stuck 
somwhere so I'm resending it. I asked if its possible to get molecular 
orbitals (preferably in *.cube format) for the system in excited state.

Thank you,
Lukasz

Resent mail:

Hi,

I use the following (example) input to get molecular orbitals from the
ground state geometry optimization:

&CPMD
  PROPERTIES
  RESTART WAVEFUNCTION COORDINATES
  WANNIER WFNOUT ALL
&END

&PROP
LOCALIZE
CUBEFILE ORBITALS HALFMESH
  4
  1 2 3 4
&END

Is it possible to extract molecular orbitals from excited state
calculations ? Is it TDDFT module that does the job or does it require
some smart restart scenario ?

Kind regards,
Lukasz