CalculatesparametersinHeisenbergmodel,includingisotropicexchange,anisotropicexchange,Dyzanoshinskii-Moriyainteraction.CanusetheinputfrommanyDFTcodeswithWannier90,e.g.Abinit,QuantumEspresso,Siesta,VASP,etc.CanuseinputfromDFTcodeswithnumericalorbitalsfromSiesta.CalculatemagnonbandstructurefromtheHeisenbergHamiltonian.Generateinputforspindynamics/MonteCarlocodesMULTIBINIT.RequireonlygroundstateDFTcalculation.Noneedforsupercells.Calculatemagneticinteractionuptolargedistance.Minimaluserinput,whichallowsforablack-boxlikeexperienceandautomaticworkflows.VersatileAPIonboththeinput(DFTHamiltonian)andtheoutput(Heisenbergmodel)sides.TB2J安装:
pipinstallTB2JTB2J内部框架:TB2J下载链接: