[Pw_forum] Dear All, question about the wannier90 use

[文沈]

Dear All,
Currently I am trying to use Wannier 90 code under Quantum espresso folder
to calculate the overlaps between different orbitals  for different atoms.
What I find in the W90 tutorial is that it produce a .mmn file to give the
overlap matrix in k space. But what I need is the overlaps for different
orbitals rather than the total overlaps.
Anybody has  the experience to use Wannier 90 code to calculate the overlaps
for different orbitals in real space? Please help


Wen Shen
Ph.D candidate
Gerogetown University
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