[Wien] local rotation matrix in QTL program
Masao ARAI
ARAI.Masao at nims.go.jp
Wed Feb 2 07:54:36 CET 2011
Dear WIEN2k developers and others,
Thank you for a great package WIEN2k.
Recently, I encountered a strange problem in QTL program.
It may be related to the problem reported to this ML
by Prof. M. W. Haverkort with the title "new x and z axis in qtl".
I calculated pdos of distorted perovskite.
But, the PDOS of d orbitals changed when I rotated local coordinate 180 degree.
Namely, I tried following two local coordinate.
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