I try to calculate the dipole moment of CO. My dipole.dat file is
# X Y Z MAGNITUDE
--------------------------------------------------------------------
1 0.000005 0.000010 4.698947 4.698947
2 0.000004 0.000006 5.309313 5.309313
So, what is the unit of the magnitude? is it electron-A as used ...
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- Fri Sep 15, 2006 9:48 pm
- Forum: Bader
- Topic: the dipole.dat file
- Replies: 1
- Views: 14802