Metadata-Version: 2.1
Name: siman
Version: 1.0.7
Summary: Manager for DFT calculations
Home-page: https://github.com/dimonaks/siman
Author: Dmitry Aksenov
Author-email: dimonaks@gmail.com
License: GPL
Keywords: DFT VASP Density Functional Theory NEB DFT+U PAW GGA Monte-Carlo
Platform: UNKNOWN
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: GNU General Public License (GPL)
Classifier: Operating System :: OS Independent
Description-Content-Type: text/markdown
License-File: LICENSE

Manager for first-principles calculations.  
For manual see wiki tab at [github](https://github.com/dimonaks/siman/wiki)

If you use this package please cite:  
Aksyonov et. al, *Understanding migration barriers for monovalent ion insertion in transition metal oxide and phosphate based cathode materials: A DFT study*, [Comp. Mat. Sci. 154, 449-458, 2018](https://doi.org/10.1016/j.commatsci.2018.07.057)  



