Wrong parameters for 5d transition metals
mretegan opened this issue · comments
The atomic parameters are calculated without the 4f electrons. This issue was reported by Travis Jones.
mretegan / crispy
Core-Level Spectroscopy Simulations in Python
Core-Level Spectroscopy Simulations in Python
mretegan opened this issue · comments
The atomic parameters are calculated without the 4f electrons. This issue was reported by Travis Jones.