Metadata-Version: 1.1
Name: seekpath
Version: 1.0.1
Summary: A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures
Home-page: http://github.com/giovannipizzi/seekpath
Author: Giovanni Pizzi
Author-email: UNKNOWN
License: The MIT license
Download-URL: https://github.com/giovannipizzi/seekpath/archive/v1.0.1.tar.gz
Description: SeeK-path
        =========
        
        ``SeeK-path`` is a module to obtain and visualize band paths in the Brillouin
        zone of crystal structures. 
        
        The definition of k-point labels follows crystallographic convention, as defined
        and discussed in the `HPKOT paper`_. Moreover, the Bravais lattice is detected
        properly using the spacegroup symmetry. Also the suggested band path provided
        in the `HPKOT paper`_ is returned.
        Systems without time-reversal and inversion-symmetry are also properly 
        taken into account.
        
        How to cite
        -----------
        If you use this tool, please cite the following work:
        
        - Y. Hinuma, G. Pizzi, Y. Kumagai, F. Oba, I. Tanaka, *Band structure diagram 
          paths based on crystallography*, arXiv:1602.06402 (2016) (`JOURNAL LINK`_).
        - You should also cite `spglib`_ that is an essential library used in the 
          implementation.
        
        How to install
        --------------
        To install, use ``pip install seekpath``.
        
        License
        -------
        The code is open-source (licensed with a MIT license, see LICENSE.txt).
        
        Online service/tool
        -------------------
        In this repository we also provide the code to deploy a online service for 
        the visualization of the band paths and primitive cells of the crystal 
        structures. A live demo is currently hosted on the `MaterialsCloud`_ web portal.
        
        The following is a screenshot of the selection window:
        
        .. image:: https://raw.githubusercontent.com/giovannipizzi/seekpath/master/webservice/screenshots/selector.png
             :alt: SeeK-path web service selection window
             :width: 80%
             :align: center
        
        And the following is a screenshot of the main output window, showing the Brillouin zone, the primitive crystal structure, the coordinates of the k-points and the suggested band path.
        
        .. image:: https://raw.githubusercontent.com/giovannipizzi/seekpath/master/webservice/screenshots/mainwindow.png
             :alt: SeeK-path web service main output
             :width: 80%
             :align: center
        
        .. _HPKOT paper: http://arxiv.org/abs/1602.06402
        .. _JOURNAL LINK: http://arxiv.org/abs/1602.06402
        .. _spglib: http://atztogo.github.io/spglib/
        .. _MaterialsCloud: http://www.materialscloud.org/tools/seekpath/
        
Keywords: path,band structure,Brillouin,crystallography,physics,primitive cell,conventional cell
Platform: UNKNOWN
