[Wien] About the occupation number
zhoukj
zhoukj at ihep.ac.cn
Fri Aug 26 16:19:52 CEST 2005
Dear Wienusers,
I have a question about the occupation number. From the case.outputst file we can learn the occupation of different orbital. For an example, Dy metal
Dy.outputst:
ORBITAL OCCUPATION TRIAL ENERGIES
1S 1.000 -1.0890000E+03
1S 1.000 -1.0890000E+03
2S 1.000 -2.7225000E+02
2S 1.000 -2.7225000E+02
2P* 1.000 -2.7225000E+02
2P* 1.000 -2.7225000E+02
2P 2.000 -2.7225000E+02
2P 2.000 -2.7225000E+02
3S 1.000 -1.2100000E+02
3S 1.000 -1.2100000E+02
3P* 1.000 -1.2100000E+02
3P* 1.000 -1.2100000E+02
3P 2.000 -1.2100000E+02
3P 2.000 -1.2100000E+02
3D* 2.000 -1.2100000E+02
3D* 2.000 -1.2100000E+02
3D 3.000 -1.2100000E+02
3D 3.000 -1.2100000E+02
4S 1.000 -6.8062500E+01
4S 1.000 -6.8062500E+01
4P* 1.000 -6.8062500E+01
4P* 1.000 -6.8062500E+01
4P 2.000 -6.8062500E+01
4P 2.000 -6.8062500E+01
4D* 2.000 -6.8062500E+01
4D* 2.000 -6.8062500E+01
4D 3.000 -6.8062500E+01
4D 3.000 -6.8062500E+01
5S 1.000 -4.3560000E+01
5S 1.000 -4.3560000E+01
5P* 1.000 -4.3560000E+01
5P* 1.000 -4.3560000E+01
5P 2.000 -4.3560000E+01
5P 2.000 -4.3560000E+01
4F* 3.000 -6.8062500E+01 N
4F* 2.000 -6.8062500E+01 N
4F 4.000 -6.8062500E+01 N
4F 0.000 -6.8062500E+01 N
5D* 1.000 -4.3560000E+01 N
5D* 0.000 -4.3560000E+01 N
6S 1.000 -3.0250000E+01 N
6S 1.000 -3.0250000E+01 N
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