.. _Symmetry-Adapted-Wannier-Functions: ######################################### Symmetry-Adapted-Wannier-Functions module ######################################### .. 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 _________________ | 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 ______________________ 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 __________ Installation of wannier90 code is relatively simple. Detailed installing information is given by `this link `_. Testing _______ 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: | 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