Dear Blaha,
Thank you very much for your incisive comment. However, I have fixed that
negligence and the problem still isn't solved. The runafm_lapw stopped again
just after the first lapw1 with QTL-B VALUE .EQ. 145.71811 in Band of
energy -3.24037 ATOM=2 L= 3.
With my best
Dear Wien users,
I kept on performing antiferromagnetic calculations and struggling in
ghostbands errors these days.
The calculation runs smoothly with no magnetism. When taking antiferromagnetism
with runafm_lapw, in the first or after a few more iteration, such errors
information always
ATOM -4: X=0.5000 Y=0.5000 Z=0.31138000
MULT= 2 ISPLIT= 8
-4: X=0. Y=0.5000 Z=0.31138000
Fe1NPT= 781 R0=.1 RMT= 2.1 Z: 26.
LOCAL ROT MATRIX:1.000 0.000 0.000
0.000 1.000
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