This is due to the local rotation matrices, which rotates the frame
according to the directions of the highest symmetry operation.
You should see this in your struct file.
PS: with qtl can can change the the coordinate fram back to what you
had previously. But you have to put the correct inq
Dear All,
I did two calculations for bulk Fe with SOC for magnetization along 110
and 100. Then I plotted band characters (using lapw2 -band -qtl -up/dn).
I noticed that now different bands have different character, as if now
e.g. d(x2-y2) orbital is defined either along 110 and 100 (basically
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