WannierTools2.7.0 Weyl-node search and chirality teachingexample.
Own2orbital d=(sinx,siny,cosz+2-cosx-cosy),a=b=c3A,energies eV.NoDFT.
6nativeconditions:4^3and6^3searchseeds;24x21and48x41Wilsonmeshes x radius.02/.04inverseBohr.
Bothsearches printtwofractionalnodes(0,0,+-.25),nativegapmax3e-8eV. NativeWilsoncharges[-1,+1] fornegative/positivek3nodes.
Nativechirality uses northminus southWilsonwinding;opposite outward occupied-lowerband Berryflux. Orientationcheckedindependently. Allnodeenergy/coordinatefields and everyWilsonphase verified.
Inthisversion spherekr0 isinternalinverseBohr despiteDirectcentercoordinates;.02=>.0377945225inverseAngstrom. Exportweylball_kpoints containslastsphereonly,Cartesianinternalunitsplusfractionalpositions.
Native searchthresholdfilters candidates,notproofallmaterialnodesfound. Ownanalyticmodelhasexact2nodes;generalmodelsneedconvergenceandindependentchecks.
Existingmoduleunchanged:oneAPI2023.2ifort2021.10,IntelMPI2021.10,MKLLP64sequential,ARPACK-NG3.9.1.
View:bash show-reference.sh;plot:bash plot-results.sh;recomputeinsideallocatedCPUresources:sbatch job.slurm or bash run.sh.Existingwork refusesoverwrite.
