[Wien] mbj potential in the case without inversion symmetry

I guess the UG says, that this restriction applies ONLY for spin-polarized systems !!! Am 22.04.2011 15:12, schrieb ali ghafari: Dear Prof. P. Blaha I applied successfully mbj potential with spin orbit interaction without spin-polarized in the ZrTe2 (space group 164) for band structure

[Wien] mbj potential in the case without inversion symmetry

, 2011 7:31:44 AM Subject: Re: [Wien] mbj potential in the case without inversion symmetry I guess the UG says, that this restriction applies ONLY for spin-polarized systems !!! Am 22.04.2011 15:12, schrieb ali ghafari: Dear Prof. P. Blaha I applied successfully mbj potential with spin orbit

[Wien] mbj potential in the case without inversion symmetry

Dear Prof. P. Blaha I applied successfully mbj potential with spin orbit interaction without spin-polarized in the ZrTe2 (space group 164) for band structure calculation. And splitting of two bands is clear. But when I did similar method for ZrTeSe (space group 156)the band structure is