[Wien] Electron density at the nucleus

2010-04-02 Thread Amlan Ray
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[Wien] spin orbit coupling

2010-04-02 Thread shamik chakrabarti
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[Wien] spin-orbit coupling calculation

2010-04-02 Thread Ray Hong
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[Wien] Electron density at the nucleus

2010-04-02 Thread Stefaan Cottenier
I have run BeO lattice case (space group P63mc) using WIEN2K code and found that the Be 1s state energy is = -6.204169219 Ry and the electron density at Be nucleus (RTO001) due to 1s core state is = 34.428627. (just to fill out a small detail: the fact that you are able in this case to