[molpro-user] ABSORPTION SPECTRA

[Grant Hill]

I use a simple Python script for this: http://www.grant-hill.group.shef.ac.uk/plot-uv.html <http://www.grant-hill.group.shef.ac.uk/plot-uv.html>

You need to copy/paste excitation energies and oscillator strengths into the script.

Best wishes,
Grant



> On 20 Feb 2018, at 08:57, Meera Cheviri <meeracheviri at gmail.com> wrote:
> 
> Dears,
> 
>          I am trying to plot absorption spectra for local CC2 calculation. can anyone help me with a working examples or commands. 
> 
> Regards,
> Meera Cheviri
> Research scholar
> ASL,Department of Physics
> Bharathiar University
> Coimbatore. 641046
> INDIA.
>  
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