[Pw_forum] input for d3.x

[Martin Andersson]

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