TURBOMOLE Users Forum

TmoleX - Graphical User Interface => TmoleX - general topics => Topic started by: Nohe on December 18, 2014, 11:13:13 AM

Title: Data processing with TmoleX - Uv spectra
Post by: Nohe 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

Title: Re: Data processing with TmoleX - Uv spectra
Post by: christof.haettig on October 01, 2015, 11:09:05 AM

did you ask the people at cosmologic (turbomole@cosmologic) what to do?