[Wien] (no subject)
Hongbin Zhang
h.zhang at ifw-dresden.de
Mon Nov 26 11:08:48 CET 2007
Dear WIEN users,
I want to calculate the Density of States for ferromagnetic FePt when
spin-orbit coupling is considered with WIEN code(WIEN2K_07, exactly). I
used commands like below: (after self-consistent calc.)
$PBS_O_EXEDIR/x lapw2 -qtl -so -up
$PBS_O_EXEDIR/x tetra -so -up
$PBS_O_EXEDIR/x lapw2 -qtl -so -dn
$PBS_O_EXEDIR/x tetra -so -dn
However, the resulted *.dos1up and *.dos2dn show different behavior, while
they should be the same since spin-orbit coupling is considered.
Any comments?
Thanks in advance.
Bests
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