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mretegan / crispy

Core-Level Spectroscopy Simulations in Python

Home Page:http://www.esrf.eu/computing/scientific/crispy

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MLCT vs. LMCT performance for d4-d6 elements

Anselmoo opened this issue · comments

commented
MLCT vs. LMCT performance for d4-d6 elements
commented

Hi Anselm,

Can you please tell more precisely what you want to calculate and what parameters are you using for the charge transfer term. Maybe send me the generated .lua file so I can have a look.