WannierTools2.7.0 anomalous Nernst thermoelectricconductivity teachingexample.
OwnspinlessQWZ2bandmodels,m=-1and-3,a=b3A,c10A;notDFT.
4nativeconditions,m-1Nk15/25/35 andm-3Nk25,thirdaxis2periodicpoints. Each9etas x5mu x3T=135actualalpha_xyvalues. All540checkedindependently.
AnalyticBerrycurvature+Fermioccupations+SIAHC+independent0.5vs0.25meVSimpson thermalconvolution;all233originalchecks passed.
NativeANEenergyintegrationstep1meVfixed,chemicalpotentialrangeextended1eV;OmegaNumcontrolsrequestedmuvalues,notintegrationstep. EtaArccontrolsAHCoccupations separatelyfromtemperature.
alpha unitsA/(mK),notopen-circuitNernstvoltage;noextraSOC0spinfactor2intheseAHC/ANEbranches. For2Dmodelvolume includesfixedc10A.
Sharedprogram/modules unchanged;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.
