Author Topic: Data processing with TmoleX - Uv spectra  (Read 1974 times)

Nohe

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Data processing with TmoleX - Uv spectra
« on: December 18, 2014, 11:13:13 am »
Hallo,
I have a question concerning how to evaluate my data with TmoleX. I did the escf calculations using Turbomole directly, but I want to do the visualization with TmoleX.
the data in the "spectrum" file are in eV, but I want to convert it to nm.
When I click on "UV/VIS Spectrum" I get the window of the spectrum, but I cannot see a spectrum. And it is not possible to change the Units.
Did anybody enounter this before?

Thanks for your help,
Nohe

christof.haettig

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Re: Data processing with TmoleX - Uv spectra
« Reply #1 on: October 01, 2015, 11:09:05 am »
did you ask the people at cosmologic (turbomole@cosmologic) what to do?