There are two ways to obtain Wannier functions with ABINIT:
In order to do Wannier interpolation or analysis of hopping integrals, real space Wannier functions can be built using the variables plowan_realspace and plowan_nt as well as plowan_it. Real space Hamiltonian for analysis is given in latex file whose name ending is "wanniereigen" and the band structure is given in the output and log file.
What ABINIT do is to take the Bloch functions from a ground state calculation and compute these two ingredients. Then, Wannier90 is run. Wannier90 is included as a library and ABINIT and the process is automatic, so that in a single run you can do both the ground state calculation and the computation of MLWFs. The input variables prtwant, w90iniprj and w90prtunk are related to the use of the wannier90 librairy.
Compulsory input variables:
... plowan_bandf [Projected Local Orbital WANnier functions BAND Final]
... plowan_bandi [Projected Local Orbital WANnier functions BAND Initial]
... plowan_compute [Projected Local Orbital WANnier functions COMPUTATION]
... plowan_iatom [Projected Local Orbital WANnier functions, Index of ATOM]
... plowan_lcalc [Projected Local Orbital WANnier functions, L values to use for CALCulation]
... plowan_natom [Projected Local Orbital WANnier functions, Number of ATOMs]
... plowan_nbl [Projected Local Orbital WANnier functions, NumBer of L values]
... plowan_projcalc [Projected Local Orbital WANnier functions, PROJectors values to use for CALCulation]
... prtwant [PRinT WANT file]
Basic input variables:
... w90iniprj [Wannier90- INItial PROJections]
... w90prtunk [Wannier90- PRINT UNKp.s file]
Useful input variables:
... plowan_it [Projected Local Orbital WANnier functions, Index of Translation.]
... plowan_nt [Projected Local Orbital WANnier functions, Number of Translation on which the real space values of
energy are computed]
... plowan_realspace [Projected Local Orbital WANnier functions, activate REAL SPACE calculation.]
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tests/wannier90/Input: t01.in
t02.in
t03.in
t11.in
t12.in
t13.in
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