[Wien] ISOLATED ATOM CALCULATION

Konstantin Nefedev nefedev at gate.sinica.edu.tw
Fri Jul 13 05:27:23 CEST 2007


Dear all,

could you advise detaled skeme for calculations of electronic states in
single atom? for example atom C

when I start nn after  P struct a=b=c=50 Borr I have

ERROR !!!!!!!!!!!!!!!
RMT(  1)=2.50000 AND RMT(  0)=0.00000
SUMS TO 2.50000 GT NNN-DIST= 0.00000
NN ENDS
0.000u 0.005s 0:00.00 0.0% 0+0k 0+0io 0pf+0w

what does mean this error?

Regards,
Konstantin
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