I wanted to see if anyone can help me with a problem that I am experiencing
(log files below). I am running Demeter on Windows 7. I updated the Demeter
package last week using the updater package (0.9.18.2) and have had issues
when attempting to pluck points from plots since then. I am confident th
Can FEFF calculate X-ray natural circular dichroism, which is the XCD that
comes from structural chirality and not
magnetism? I suppose I could simply try it, putting in coordinates for some
simple molecule, but I'd like to know
if any results would be meaningful.
mam
__
