[Wien] question about transition core-core

grad at famaf.unc.edu.ar grad at famaf.unc.edu.ar
Mon Oct 10 23:31:46 CEST 2011


Hi,
We read that the OPTIC program, included in WIEN2k, calculates the matrix
elements between core and conduction states.
We would like to calculate the matrix elements between core states of the
same atom.
Is that possible? Is it necessary to modify the code? How can that be done?
Thank you

Gabriela Grad
FaMAF - UNC







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