[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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