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.
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
Christos Deligkaris, PhD