Improvement-Wannier90-Z2pack-Interface module

Purpose of Module

Improved the interface with the Z2pack code (courtesy D. Gresch, ETHZ)
This introduces the nnkpts input block, which specifies the nearest neighbours. The format is the same as in the .nnkp file, except that the number of neighbours per k-point is not needed as input. The goal of this is to have a consistent interface to ab initio codes, to be used with Z2Pack.

Background Information

This module is produced during the ECAM/Wannier90-developer workshop held in San Sebastian. This coincided with the move of the Wannier90 repository to GitHub to enable easier integration of community contributions. One of the first such contributions was the ability to compute symmetry-adapted Wannier Functions. (For more background information, see Wannier code history)


Installation of wannier90 code is relatively simple. Detailed installing information is given by this link.


Test-Suite (Pull-Request 5) and Travis-CI integration (Pull-Request 6) are added to Wannier90 repository during this workshop.

Thus, each Pull-Request within this ECAM module passed the Travis-CI continuous integration test before being merged into the Wannier90 code. Within the Travis-CI test, a set of tests in Test-Suite are checked. Manual testing can be done through the following command:

$ make run-tests

If ‘run-custom-test-parallel’, it runs the specified test in parallel (4 process with MPI):

$ make run-custom-test-parallel testdir=example01

For more details, please see HERE.

Source Code

The source code of this module can be found in the following Pull-Requests in Wannier90 repository under Github: