Hi,
I'm using CASTEP module to study magnetic structure of materials containing transition metals and I have 2 questions:
- What are the units used for Mulliken Spin printed in population analysis.
- If I use scripting to perform an energy calculation, the result object should contain different keys, one of them is MagneticMoment. The quastion is how can I access this property (what's the perl script syntax)
Thanks,
Alina