[Wien] about case.scfm results

[Souraya GOUMRI-SAID]

Dear all,

I have some question about results obtained in case.scfm. I want to 
understand their physical meaning.

When we perform spin-polarized calculations, we obtain in this file 
differents data which may give us more informations about the considered 
system.

What is the meaning of : SPINDENSITIES AT THE NUCLEUS (THOMSON) for VALENCE, 
SEMI-CORE, CORE,TOTAL etc.  

are these results dependent in numerical parameters related to the method : 
kpoint, RMt,  

Secondly at the end of the file, we find the data about forces in Ry for any 
elements considered in the simulated system. I haven't until now use these 
data, to what kind of study can we use them. may be to study the elasticity 
properties and the defaults effects but I am not sure.

Can someone explain these data ?

Regards,

souraya
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