{ "info": { "author": "Georg K. H. Madsen", "author_email": "georg.madsen@tuwien.ac.at", "bugtrack_url": null, "classifiers": [ "Development Status :: 4 - Beta", "Intended Audience :: Science/Research", "License :: OSI Approved :: GNU General Public License v3 or later (GPLv3+)", "Programming Language :: C++", "Programming Language :: Python :: 3", "Programming Language :: Python :: 3.5", "Programming Language :: Python :: 3.6", "Topic :: Scientific/Engineering :: Chemistry", "Topic :: Scientific/Engineering :: Physics" ], "description": "BoltzTraP2 provides a numerically stable and efficient method for obtaining\nanalytic representations of electronic bands based on density-functional-theory\nresults for relatively sparse grids. It achieves this goal by using smoothed\nFourier interpolation.\n\nBoltzTraP2 can be used as a Python module or as a standalone command-line\nprogram. One of its most frequent use cases involves determining the Onsager\nelectronic transport coefficients by direct integration over the Brillouin zone\nbased on the interpolated band structure, as functions of temperature and\nchemical potential. This functionality is easy to access in BoltzTraP,2 which\nalso includes many additional features for band-structure analysis, such as\na 3D viewer of the Fermi surface.\n\nThe program and the method are described in detail in the following reference:\nG. Madsen, J. Carrete & M. J. Verstraete, Comput. Phys. Commun.", "description_content_type": "", "docs_url": null, "download_url": "https://gitlab.com/sousaw/BoltzTraP2/repository/archive.tar.gz?ref=v19.7.3", "downloads": { "last_day": -1, "last_month": -1, "last_week": -1 }, "home_page": "https://www.boltztrap.org", "keywords": "electronic band structure Onsager thermoelectric coefficients", "license": "GPLv3+", "maintainer": "", "maintainer_email": "", "name": "BoltzTraP2", "package_url": "https://pypi.org/project/BoltzTraP2/", "platform": "", "project_url": "https://pypi.org/project/BoltzTraP2/", "project_urls": { "Download": "https://gitlab.com/sousaw/BoltzTraP2/repository/archive.tar.gz?ref=v19.7.3", "Homepage": "https://www.boltztrap.org" }, "release_url": "https://pypi.org/project/BoltzTraP2/19.7.3/", "requires_dist": null, "requires_python": ">=3.5", "summary": "band-structure interpolator and transport coefficient calculator", "version": "19.7.3" }, "last_serial": 5563701, "releases": { "19.7.3": [ { "comment_text": "", "digests": { "md5": "cba6ccc2a82fc042b0c0f60a0a4aa429", "sha256": "5ce5ea59ec69c237c5254c792492a0afa49146bcb6dacebed882d622525e55c1" }, "downloads": -1, "filename": "BoltzTraP2-19.7.3.tar.gz", "has_sig": false, "md5_digest": "cba6ccc2a82fc042b0c0f60a0a4aa429", "packagetype": "sdist", "python_version": "source", "requires_python": ">=3.5", "size": 37696990, "upload_time": "2019-07-21T15:20:07", "url": "https://files.pythonhosted.org/packages/a1/a6/158ec5237ae676e4bfecdec03c8dd57ce65d24ebb5fc5566044077ce9795/BoltzTraP2-19.7.3.tar.gz" } ] }, "urls": [ { "comment_text": "", "digests": { "md5": "cba6ccc2a82fc042b0c0f60a0a4aa429", "sha256": "5ce5ea59ec69c237c5254c792492a0afa49146bcb6dacebed882d622525e55c1" }, "downloads": -1, "filename": "BoltzTraP2-19.7.3.tar.gz", "has_sig": false, "md5_digest": "cba6ccc2a82fc042b0c0f60a0a4aa429", "packagetype": "sdist", "python_version": "source", "requires_python": ">=3.5", "size": 37696990, "upload_time": "2019-07-21T15:20:07", "url": "https://files.pythonhosted.org/packages/a1/a6/158ec5237ae676e4bfecdec03c8dd57ce65d24ebb5fc5566044077ce9795/BoltzTraP2-19.7.3.tar.gz" } ] }