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Bio: optical conductivity with Wannier functions and adaptive k-mesh refinement
Type: Organization
Bio: optical conductivity with Wannier functions and adaptive k-mesh refinement
//====================\\ || || || The Woptic Package || || || \\====================// Woptic calculates the optical conductivity of interacting systems in a maximally-localized Wannier basis. It is built on top of Wien2k, wien2wannier, and Wannier90. In any published papers arising from the use of Woptic, please cite: E. Assmann, P. Wissgott, J. Kuneš, A. Toschi, P. Blaha, and K. Held, Comput. Phys. Commun. 202, 1 (2016) <http://www.sciencedirect.com/science/article/pii/S0010465515004488> arXiv:1507.04881 <http://arxiv.org/abs/1507.04881> When using additional codes in conjunction with woptic, do not forget to cite their appropriate papers as well. Installation ************ 0. As a prerequisite, install Wien2k <http://wien2k.at> and Wannier90 <http://wannier.org>. Wien2k should include wien2wannier (version 14.2 or newer). 1. Get woptic from <https://github.com/woptic/woptic> and extract. For the newest code, clone the ‘master’ branch; for a stabler version, download the latest release. 2. Configure and compile. For configuration, copy ‘make.sys.example’ to ‘make.sys’ and edit. To compile, run ‘make’. 3. Put it in your $PATH. After compilation, the woptic executables are in the subdirectory bin/. It is easiest to add this directory to your $PATH. 4. Optionally, compile the user's guide. Run ‘make doc’, resulting in the file ‘doc/woptic_userguide.pdf’. License ******* Woptic is free software: you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 of the License, or (at your option) any later version. See the file COPYING for details. Woptic is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. You should have received a copy of the GNU General Public License along with Woptic. If not, see <http://www.gnu.org/licenses/>. -----===:===----- No tetrahedra were harmed during the making of this software.
optical conductivity with Wannier functions and adaptive k-mesh refinement
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