Re: [Wavepacket-user] problems with wav_interp

[Ulf L. <ulf...@ke...>]

On Mon, Jun 08, 2009 at 10:48:31AM +0200, Monika Leibscher wrote:
> Dear Ulf, dear Burkhard,
> 
> I am trying to run one of your demo-files (Quantum dynamics driven by
> external fields, Electronic excitation of molecules) but with a inital
> wavefunction
> read from a file instead of a initial Gaussian wavefunction.
> 
> However, I am not sure about the exact input for @wav_interp which is
> required in initialize.m.
> 
> Could you help me with a demo file using @wav_interp or a description of
> the required parameters?

Sure. There should be a demo FemtoChem/Interferometry.

The first run (run the rundemo script in FemtoChem.../1) outputs a
relaxed wavepacket to a file, the second run (FemtoChem.../2)
interpolates from the file.

Just reply if you continue having trouble.


Ulf