[Pw_forum] symmetry in wannier

ding dingmingcui at qq.com
Wed May 22 04:40:33 CEST 2013


Dear Wannier users,
    How to apply symmetry protection in Wannier 90 code? The unit cell is LaFeAsO, the space group   is 129_P4/nmm, and one unit cell contains two equivalent Fe atoms. I use the 10 Fe 3d orbitals to get the effecitve  tight binding Hamiltionian.  But  I  found that the chemical potentials of  the five 3d orbitals  from the two equivalent Fe atoms is different. For example, the  chemical potential of the dxy orbital from one Fe atom is different from that of the orther Fe atom. Can anyone give some suggetions?
 Thanks a lot !
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