Dear all, I am using Avogadro 1.2.0 and I saw (while opening a new file) that Avogadro can read NWchem output files. I have a frequency calculation output file (my log file, a text file) from NWChem 6.6 that makes Avogadro crash when I try to open it.
NWChem also prints 20 xyz files for each mode and a single file that includes all 20 xyz geometries. I have been able to use Avogadro to read that single file with the 20 xyz geometries to make a movie of the vibrational mode but I have not found a way to make a figure that displays the molecule and arrows to display the vibrational mode. My questions: 1) Can I use Avogadro to read NWChem output files? Perhaps I am asking Avogadro to read the wrong output file? 2) Is there a way to use Avogadro to make a figure to illustrate the vibrational modes? Best wishes, Christos Deligkaris, PhD _______________________________________________ Avogadro-Discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/avogadro-discuss
