Dear colleagues, I'm running wien2k version WIEN2K_19_LI on linux cluster. The goal is to analyze magnetic anisotropy energy in YCo_5 intermetallic.
As it was explained in few presentation discussing SOC implementation in wien2K it's added in following form \zeta ({\vec \sigma}{\vec l}), where \zeta = 1/(2Mc^2) 1/r^2 dV/dr. Question: is it possible to output value \zeta for each atom, orbital moment? I cant find it in output files and was not able to find following discussion in archive. Thank you, German Dr. German D Samolyuk Materials Theory Group Materials Science & Technology Division Oak Ridge National Laboratory Post Office Box 2008 Oak Ridge, TN 37831-6138 (865) 241-5394 (865) 241-3650 (FAX)
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