spin coupling energy??

Posted on : March 24, 2017 (Fri) 20:19:20

by togocha

Dear KKR Administrator,

I could get following data about <Ls> like follow:

/* quote
e,l,m,sl= -0.66372 1 0 4.36156
e,l,m,sl= -0.66372 2 -1 0.05010
e,l,m,sl= -0.66372 2 0 0.05010
e,l,m,sl= -0.66372 2 1 0.05010
e,l,m,sl= -0.66372 3 -2 0.03583
e,l,m,sl= -0.66372 3 -1 0.03583
e,l,m,sl= -0.66372 3 0 0.03583
e,l,m,sl= -0.66372 3 1 0.03583
e,l,m,sl= -0.66372 3 2 0.03583
e,l,m,sl= -0.69862 1 0 4.29401
e,l,m,sl= -0.69862 2 -1 0.04973
e,l,m,sl= -0.69862 2 0 0.04973
e,l,m,sl= -0.69862 2 1 0.04973
e,l,m,sl= -0.69862 3 -2 0.03519
e,l,m,sl= -0.69862 3 -1 0.03519
e,l,m,sl= -0.69862 3 0 0.03519
e,l,m,sl= -0.69862 3 1 0.03519
e,l,m,sl= -0.69862 3 2 0.03519
itr= 88 neu= -0.0000 moment= 1.9123 te= -26023.4079650 err= -6.049

quote */

I would like to know how can I get total amout of <Ls>?

and what is the meaning of each parameters?

e? l? m? ls?

togocha