Hi all, I was trying to find information on how to use the d3.x program. I have successully calculated frequencies, ir and raman intensities for my test system, a CO2 molecule. I would like to try and calculate anharmonic effects on linewidths using d3.x but can't seem to get it to work. If anyone could point me in the right direction I would be grateful.
Thanks, Martin Andersson, NanoGeoScience, University of Copenhagen
