Dear Prof. Peter Blaha, I quite sure that the orbital isotropic and anisotropic are not important in my cases, which locate in very narrow range for Li, several or dozen ppm. The hyperfine isotropic and anisotropic leads to paramagnetic shift that locate in very broad range, even reach thousands of ppm. We are probably not talking the same topic, the gap of “paramagnetic shift” between metal and transition metal oxide. Best, Min ——————————————— Min Lin 2018 Ph. D student Physical Chemistry Chemistry Department Chemistry & College of Chemistry and Chemical Engineering Xiamen University China e-mail: lin...@stu.xmu.edu.cn |
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