[Gabedit-users] problem with UV spectrum
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From: Christian T. <chr...@fu...> - 2009-10-26 21:56:25
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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 |