[Pw_forum] Angular moment in non-collinear spin-orbit calculations

Alexander Rudenko rudenko at dpt.ustu.ru
Mon Aug 20 12:45:47 CEST 2007


Dear espresso users,

I have some question about the possibility of estimating the angular 
component of magnetic moment in non-collinear spin-orbit case. How is it
can to be done within espresso? Or is it not yet realized? As far I now, 
the PROJWFC utility gives only the total moment, projected onto atomic 
orbitals, but separation to spin and angular moment is absent there.

Thank you in advance.

-- 
Alexander Rudenko
Department of Theoretical Physics and Applied Mathematics
Ural State Technical University
Ekaterinburg, Russia



More information about the users mailing list