average (electrostatic) potential at core
the test charge radii are0.6991
(the norm of the test charge is1.0000)
1 -60.43892 -60.43873 -60.43774 -60.43845 -60.4390
6 -60.43887 -60.43908 -60.43879 -60.443310 -60.4453
11 -60.455512 -60.434113 -60.377314 -60.341715 -60.3417
16 -60.377317 -60.434218 -60.455719 -60.445820 -60.4440
at core 是那个核心呢？？？the test charge radii 是什么呢？？？？
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发表于 2018-11-22 15:12:46
楼主