[Wannier] about the normalization of Wannier Functions

Xiangru Kong kongxru at gmail.com
Fri Jan 10 22:06:19 CET 2020


Dear Jonathan or other developers of Wannier90,

I have a follow up question in response to this message:

https://lists.quantum-espresso.org/pipermail/wannier/2012-July/000545.html

In https://arxiv.org/abs/1401.7732 and a series of other publications,
Wannier functions on a real-space grid are used as input STM simulations
of heterogeneous superconductors. When using VASP+Wannier90  (i.e. PAW)
do the different Wannier functions have the same unknown normalization
factor, or will the normalization factor differ say between Fe-dxz and
Fe-dxy?

Thanks, Xiangru Kong, Oak Ridge National Laboratory
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