[Wien] Bandstructure with character plotting

[Peter Blaha]

Yes, you could write a little script and simply add all numbers.

> 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
> 
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> 


                                      P.Blaha
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
--------------------------------------------------------------------------