[Wien] Question about Partial DOS calculation

ronunez@gauss.mat.uson.mx ronunez at gauss.mat.uson.mx
Wed Nov 26 20:58:56 CET 2008


Dear WIEN users:

I have a basic question about the partial DOS calculation.

If I calculate DOS of TiC, and specifically Ti s states DOS,
the WIEN code calculate the contribution of s states of both
Ti and C to the muffin tin sphere of Ti?

If this is true, how I can calculate the individual contribution
of Ti s and C s states to the calculated Ti s states DOS?
 
Thanks...

Dr Roberto Nuñez-Gonzalez
Departamento de Matematicas
Universidad de Sonora
Mexico
ronunez at gauss.mat.uson.mx
 


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