[Gabedit-users] problem with UV spectrum

[Christian T. <chr...@fu...>]

Dear all,

thanks to Abdul-Rahman ALLOUCHE for the new version with Orca support,
its great!
I played around with it, and had problems with creating a UV-VIS
spectrum. When I followed the online tutorial, all orca calculations
went fine. But Gabedit couldn't read the output "Sorry, I cannot read
energies from '.../CIS.out' file", when I tried "Tools/UV Spectrum/Read
energies and intensities from Orca output file". Same thing happens,
when I tried to read the orbitals via "Display Geometry/Orbitals..."
from the Orca output. Works only via "... from Orca files using orca2mkl".

Also when I plot the IR spectrum, the plot is completely missing any
tick labels. Changing the font doesn't help.

This happens both with the precompiled binary and with a selfmade
version from the source.

Thanks for your help.


Christian Teutloff