Python class to calculate ionic conductivity and its statistical error with AIMD data input
Python class to calculate ionic conductivity and its statistical error with AIMD data input
"Diffusion_error_analyzer.py" is the file used in Pymatgen(http://pymatgen.org/), a Python lib for materials analysis. It can calculate ionic conductivity as well as analyze its statistical error with ab initio MD raw data calculated from VASP(http://www.vasp.at/).
"MSD_analyzer.py" is the file used to do I/O transport after applying Diffusion_error_analyzer.
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