Calculate elastic properties using VASP Mechanical Properties Calculation and Analysis Application ver 1.0.5 Zeyu Deng <[email protected] or [email protected]> Department of Materials Science and Metallurgy University of Cambridge
2016.08.16 Ver 1.0.5 Add functions to calculate directional Poisson’s ratio (-cv) and shear modulus (-cg) for all directions.
Add functions to input the number of point for calculating elastic modulus (-npt)
However, the efficiency of the code is not good. Optimizations are needed.