[Wien] About eg-t2g

Leonardo Pisani pisani at itp.uni-frankfurt.de
Thu Nov 27 16:17:10 CET 2003


Dear Wien users,

let's consider the notorious TiC example.
There the Wien program provides the DOS with eg-t2g character (l=2 real 
orbitals).
In the scf calculation it is using spherical harmonics (complex orbitals).
How does it pass to the d real orbitals?

Thank you in advance.
Best regards,
Leonardo Pisani. 
  



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