Dear All, I am trying to solve a generalized TB hamiltonian (HV = ESV) using hopping parameters from wannier90. Looks like the wannier90 gives only hopping parameters (seedname_hr.dat) but not overlap parameter (<m|n>). How can I calculate the overlap matrix Smn = <m|n> ?
Thanks you in advance for your help
_______________________________________________ Wannier mailing list Wannier@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/wannier