[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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