[Wien] g factors and NMR shift estimates in semiconductors with spin-orbit couplings

Dear Wien2k Community We have been recently working on estimating semiconductor g-factors and related issues in order to estimate NMR shifts in semiconductors with spin-orbit coupling. We took GaAs as a test case with SOC, and the band-structure appears to be similar to what has been reported,

Re: [Wien] g factors and NMR shift estimates in semiconductors with spin-orbit couplings

o not calculate the perturbed eigenvalues ... > > Peter Blaha > > Am 24.11.2015 um 17:20 schrieb Joseph Ross: >> Dear Wien2k Community >> >> We have been recently working on estimating semiconductor g-factors and >> related issues in order to estimate NMR shi

[Wien] finding density of states for individual bands

We have a semimetallic system which has an indirect overlap of some rather convoluted bands at Ef. In order to better understand the holes vs. electrons in this system we would like to find the density of states (and partial densities if possible) associated with individual bands, rather than