[Wien] density matrix

[stargmoon]

Dear Stefaan,
 
Thanks a lot for your reply.
 
Regards,
 
Stargmoon

Stefaan Cottenier <Stefaan.Cottenier at fys.kuleuven.ac.be> wrote:

> Could you please tell me which file (and the format of this file) the
> density matrix of each atom is written to?

case.dmat (or case.dmatup/dn). The first line of the matrix is written 
first, but can run over several lines in your editor. Each element is 
a complex number. Only for the atoms and the states specified in 
case.indm, the density matrix is written.

Stefaan

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