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There are several Wannier-related utilities in PostProc:
- The "Poor Man Wannier" code pmw.x, to be used
in conjunction with DFT+U calculations: see Example 05.
- The interface with Wannier90 code, pw2wannier.x:
see the documentation in W90/ (you may install the
Wannier90 plug-in via make w90 ). For spin-current
matrix elements, implemented in routine compute_shc:
``it writes .sIu and .sHu files used for
WANNIER-BERRI (https://github.com/stepan-tsirkin/wannier-berri/),
and also will be utilized through postw90.x
(https://github.com/manxkim/wannier90/tree/SHC/src) in Wannier90.
In WANNIER-BERRI, .sHu and .sIu files can be used to calculate the
quantity "opt_SHCryoo". In Wannier90, add "berry_task = shc" and
"shc_ryoo=.true.". in the input parameters of postw90.x. They
activate the calculation of SHC using .sHu and .sIu.''
- The wannier_ham.x code generates a model Hamiltonian
in Wannier functions basis: see PP/examples/WannierHam_example/.
Note that the wfdd.x code has been moved to CP.