Producing spectra from Abinit output
Posted: Tue Jul 12, 2011 8:23 pm
This is not a problem, more of a general query put to the community's expertise for help.
I see (from the tutorials, and also because it's relatively straightforward) how to produce the LO and TO mode raman tensors. How can I go from this output to a complete, computational raman spectrum. I need to produce something that can be compared to lab spectra.
Thanks for any advice,
Lonia
I see (from the tutorials, and also because it's relatively straightforward) how to produce the LO and TO mode raman tensors. How can I go from this output to a complete, computational raman spectrum. I need to produce something that can be compared to lab spectra.
Thanks for any advice,
Lonia