[Wien] Bandstructure with character plotting

Thomas Claesson tcl at kth.se
Wed Jun 28 11:37:31 CEST 2006


Dear Wien users and developers!

I have a question regarding plotting of bandstructures with character in a
spin-polarised case. In my spin-polarised case I get different character
values in the spin-up and spin-dn cases, respectivley, for a particular
atom, say atom #1. I want to make a bandstructure plot with character for
atom #1 regardless of spin-direction, hence spin-integrated. My question
is: can I make a spin-integrated bandstructure plot with character just by
adding the character values from the case.outputspup and case.outputspdn
files? I am asking since I am not familliar with the units of the
character values written to case.outputsp(up/dn). I thought it might be
necessary to perform some rescaling before you add the spin-up and spin-dn
cases? Or can I add them just as they are?

Thanks for your replies!

Best regards,
Thomas Claesson



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