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by tanyaohua
Mon Feb 27, 2012 2:04 pm
Forum: Link to other codes
Topic: problem of band structure( with SO coupling) interpolation
Replies: 0
Views: 5154

problem of band structure( with SO coupling) interpolation

Hello all. I had a problem when doing band interpolation for a band with spin orbit coupling using Abinit-Wannier90 interpolation. In the dft calculation I use option "nspinor 2" and using the "hgh" type pseudo potentials. In the input files for wannier90, I set "num_wan&quo...