[Wien] Isolated Atomic Calculation - all time error

Konstantin Nefedev nefedev at gate.sinica.edu.tw
Mon Jul 16 16:30:07 CEST 2007


Dear all,

Do anybody construct the electronic density for single isolated atom? If
this task is very simple dummy usual

I untill today have no clear understanding how is possible true calculate
it.

If anybody understand the right scheme,  could you advise step by step?

HOW IS IT POSSIBLE TRUST TO BULK CALCULATIONS IF THERE IS NOT CLEAR SCHEME
FOR CALCULATION OF ONE ATOM UNTILL NOW?

Regards,
Konstantin
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