[Wien] How to calculate the magnetization in momentum space

Saeed Bahramy bahramy at riken.jp
Sat Jan 15 19:20:29 CET 2011


Dear WIEN2K users,

I'm doing a non-collinear spin-orbit calculation for a heavy-element  
system with a hexagonal structure. My main interest is to calculate   
the magnetization along x (Mx), y (My) and z (Mz) in momentum space  
for the lowest conduction bands. Simply saying, I'd like to calculate  
Mx, My and Mz for a conduction band at a given kpoint. I was wondering  
if somebody knows the procedure for doing such a calculations.

Sincerely,
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Saeed Bahramy
Advanced Science Institute (RIKEN)
Saitama-Japan
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