[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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