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I searched in the tutorials in WANNIER90 and example 18 says that the calculation of the Berry curvature requires the "recent version of the pw2wannier90 interface". In other words, it requires the interface between Quantum ESPRESSO and WANNIER90.
Would anyone please tell me whether the interface between VASP and WANNIER90 can also calculate the Berry curvature or not? I mean plotting the Berry curvature along the high-symmetry k-points, same as those in the band structure.
Yes, one can do the similar calculations with VASP.
TL;DR. Check out my example 🔗here.
There are two steps involved here, one is obtaining well localized Wannier functions and the other is using those wanner functions to calculate the stuff (here, Berry curvature).
The first step is achieved by telling the DFT code to output projection coefficients (as a guiding point for constructing Wannier functions) and overlap matrices between Bloch functions at neighboring K-point.
The original tutorial was written for Quantum ESPRESSO and for VASP, the same can can be achieved by writing a wannier90.win file and setting the tag LWANNIER90 = .T. in INCAR file of a single point calculation.
Then the procedure is the same as those described in the original tutorial.After obtained said objects, one need to run wannier90.x to get the unitary matrices (+ other informations) stored in .chk file. Finally, we can obtain the Berry curvature data using postw90.x.
