[Wien] File case.cf_d_eg_t2g

Leonardo Pisani pisani at itp.uni-frankfurt.de
Wed Nov 26 09:41:22 CET 2003


Dear Wien Users,

I am dealing with the unitary matrix to pass from the lm basis to the eg-t2g 
basis (real d orbitals).
This matrix is written in the file  $WIENROOT/SRC_templates/case.cf_d_eg_t2g 
in the spin up and down representation (4 blocks).
For istance, let's take the first block: the rows 3 and 4 give the d_xy  and 
d_yz orbitals. These orbitals are defined as  linear combinations of 
spherical harmonics l=2 with imaginary coefficients. 
If each row is formed by 5 pairs of real numbers (real and imaginary parts) 
and the first number of each couple is the real part,
why are the coefficients of the matrix rows 3 and 4  real?



Thank you very much indeed for the very useful help.
Best Regards, Leonardo Pisani.



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