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README.md

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 # pymatgen_examples
 Some examples of using pymatgen code
+All codes are self-explanatory.
+
+There is NO warrenty that these codes work properly or in the way you want.
+
+Please cite my paper if you use these codes:
+
+Lu, Ziheng, and Francesco Ciucci. "Metal Borohydrides as Electrolytes for Solid-State Li, Na, Mg, and Ca Batteries: A First-Principles Study." Chemistry of Materials 29.21 (2017): 9308-9319.
+Lu, Ziheng, and Francesco Ciucci. "Structural origin of the superionic Na conduction in Na 2 B 10 H 10 closo-borates and enhanced conductivity by Na deficiency for high performance solid electrolytes." Journal of Materials Chemistry A 4.45 (2016): 17740-17748.
+Lu, Ziheng, et al. "Defect chemistry and lithium transport in Li 3 OCl anti-perovskite superionic conductors." Physical Chemistry Chemical Physics 17.48 (2015): 32547-32555.