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[ Last edited by freshgirl on 2009-6-25 at 19:09 ]
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Co13ΪÀý,

1 Start_spin_populationÈçºÎÉèÖÃ
Start_spin_populations On
1     0.5
2     0.5/-0.5
3

13

is the following option ok ?

Modify - Spin:
Element Rh [Kr]4d10
Formal charge 1
....................
Spin state : custom
Direct : up
spin : +1

[ Last edited by fdtdpc on 2007-10-13 at 05:45 ]
7Â¥2007-10-12 18:55:28
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¡ï ¡ï
biezhi(½ð±Ò+2,VIP+0):лл½éÉÜ
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2Â¥2007-10-11 14:24:26
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fdtdpc

ľ³æ (ÖøÃûдÊÖ)

Thanks, if I set S=1 and M=2, How can I set the property option ? Where can i find the magnetic moments in output file  ?

many thanks
3Â¥2007-10-11 20:06:51
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