Dear collegues,
we have problem ragarding local rotation matrix, which we encountered
when calculatingĀ electronic structure of bcc Fe (spin-polarized +
spin-orbit) for different magnetization directions.
We have calculated electronic structure of bcc Fe as suggested by Prof.
Blaha, using
Dear Users,
I have optimized a doped AFM structure with option 8 [VARY C/A RATIO and
VOLUME (2D-case) (tetr and hex lattices)].
all process went okay, but I am not able to get the lattice parameters.
Please help me to get the optimized parameters. Let me know it any
additional information is
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