[Wannier] how to find out the projection used in SCDM method

[Giovanni Pizzi]

Dear Bhargab Kakati,

One option to see the starting point of the Wannierisation, that is the initial projections orthonormalized, is to set num_iter = 0 and run the Wannierisation: with num_iter = 0 you do not do any Wannierisation step, essentially you do a projection-only Wannier-functions; then, just plot the WFs and check the result.

As a note, remember that in most (all?) cases, the projections won't be intuitive s, p, d-like orbitals.

Hope this helps.

Best,
Giovanni


> On 29 Feb 2024, at 12:39, Bhargab Kakati <bhrgabkakati at iasst.res.in> wrote:
> 
> Dear all,
> 
> I used SCDM method in my calculation and I was wandering if there's any way we can fin out the projections used in the wannierization process. Any suggestion will be highly appreciated.
> 
> Thank you.
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