[Wien] K point changed with Spin-orbital coupling.

[yanming Ma]

Dear Peter,
 


> >I find another problem is that the DOS for intersitial part is larger than the total DOS >>the case which I include Spin-Orbit coupling without spin-ploarized.

>This is known (and I hope stated somewhere in UG). The interstital DOS in SO
>calculations is NOT the interstital DOS.

I check through the whole mannul, I Can not find the concerning statement. As I know, for spin-polarized SO, the interstitial DOS is not the interstitial DOS. But for SO, without the spin-polarized case, there is no clear statement on what is the interstital DOS.
 
Any comments
 

 


Yanming Ma Ph.D
Steacie Institute for Molecular Sciences,
National Research Councils of Canada,
Ottawa, Ontario
K1A 0R6
Canada

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