.. _Symmetry-Adapted-Wannier-Functions:
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Symmetry-Adapted-Wannier-Functions module
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.. sidebar:: Software Technical Information
Language
FORTRAN
Licence
GPLv2
Documentation Tool
FORD for source code documentation, see `Source Code documentation `_.
Application Documentation
`http://www.wannier.org/user_guide.html `_
Relevant Training Material
`http://www.wannier.org/user_guide.html `_
.. contents:: :local:
This module implements the symmetry-adapted Wannier functions.
.. Add technical info as a sidebar and allow text below to wrap around it
Purpose of Module
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| Implementation of the symmetry-adapted Wannier functions
| (see R. Sakuma, Phys. Rev. B 87, 235109 (2013), courtesy
| of R. Sakuma (Lund University, Sweden), T. Koretsune (Riken, JP),
| Y. Nomura (U. Tokyo, JP), Y. Nohara (Atomic-Scale Material
| Simulations, Co., Ltd.), R. Arita (Riken, JP))
Background Information
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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 `_)
Installing
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Installation of wannier90 code is relatively simple. Detailed installing information is given by `this link `_.
Testing
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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
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The source code of this module can be found in the following Pull-Requests in Wannier90 repository under Github:
| https://github.com/wannier-developers/wannier90/pull/7
| https://github.com/wannier-developers/wannier90/pull/57
| https://github.com/wannier-developers/wannier90/pull/66
| https://github.com/wannier-developers/wannier90/pull/81
| https://github.com/wannier-developers/wannier90/pull/84
| https://github.com/wannier-developers/wannier90/pull/88
| https://github.com/wannier-developers/wannier90/pull/89