I expect that the GAMESS output has changed subtly and it's now not finding the electron count (to identify the HOMO, LUMO, etc.)
If you can send an example output file, please send it along and I'll see what's changed. Thanks and best regards, -Geoff > On Jul 26, 2016, at 5:23 AM, Andre Persoons <andre.perso...@kuleuven.be> > wrote: > > Hi, > > when opening the log of GAMESS results in AVOGADRO I see that the energy of > the orbitals (HOMO, LUMO) given in eV are completely wrong, e.g. HOMO > (Benzene) is given as - 179.922 eV - a most acceptable data is about - 7 eV. > What is wrong, what I am doing wrong ? > > Thanks and best regards, > > Andre Persoons > ------------------------------------------------------------------------------ > What NetFlow Analyzer can do for you? Monitors network bandwidth and traffic > patterns at an interface-level. Reveals which users, apps, and protocols are > consuming the most bandwidth. Provides multi-vendor support for NetFlow, > J-Flow, sFlow and other flows. Make informed decisions using capacity planning > reports.http://sdm.link/zohodev2dev > _______________________________________________ > Avogadro-Discuss mailing list > Avogadro-Discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/avogadro-discuss ------------------------------------------------------------------------------ What NetFlow Analyzer can do for you? Monitors network bandwidth and traffic patterns at an interface-level. Reveals which users, apps, and protocols are consuming the most bandwidth. Provides multi-vendor support for NetFlow, J-Flow, sFlow and other flows. Make informed decisions using capacity planning reports.http://sdm.link/zohodev2dev _______________________________________________ Avogadro-Discuss mailing list Avogadro-Discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/avogadro-discuss
