siman

Name	siman JSON
Version	1.7.0 JSON
	download
home_page	https://github.com/dimonaks/siman
Summary	Manager for DFT calculations
upload_time	2024-04-01 11:29:24
maintainer	None
docs_url	None
author	Dmitry Aksenov
requires_python	None
license	GPL
keywords	dft vasp density functional theory neb dft+u paw gga monte-carlo
VCS
bugtrack_url
requirements	No requirements were recorded.
Travis-CI	No Travis.
coveralls test coverage	No coveralls.

            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)  




            

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