WannierTools2.7.0 bulk spin texture and spectral function teaching model.
Own twolevel spinor Hamiltonian d.sigma,m=-1,a=b3A,c10A;one s orbital x up/down basis,SOC1.Not a material DFT fit.
6 actual native conditions:spin21/41grids x eta.05/.1eV;plainFSplane21/41 ateta.05;Earc1.5eV.
All grid points checked against independent eigenvalue/Pauli-projector spectral representation;raw density is1/Hartree,divide27.211385 for1/eV.
Native spin output is Pauli expectation,not yet multiplied byhbar/2. Native A<Amax/20 spin numerators are replaced byeps12;blank arrowsdo notmeanphysicalzerospin.
Nk1 controls bothplane dimensions inthisroutine;equalNk2 shown explicitly. Nativebulklog maysay surface;theactual input isBulkSpintexture_calc.
CompileroneAPI2023.2/ifort2021.10,IntelMPI2021.10,MKLLP64sequential,ARPACK-NG3.9.1;sharedmodule unchanged.
View:bash show-reference.sh;plot:bash plot-results.sh;recomputeinsideallocatedCPUresources:sbatch job.slurm or bash run.sh.Existingwork refusesoverwrite.
