Danil-phy-cmp-120

all_d_optimization

Elast

Code for calculating elastic modulus with VASP

ml_heusler_chgcar

plot_forces_from_VASP

Plots the evolution of forces from VASP's OUTCAR file. Useful for analyzing optimization progression between or during job submissions.

VASP_scripts

pymatgen

Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials Project.

Danil-phy-cmp-120/VASP_scripts

Danil-phy-cmp-120/plot_forces_from_VASP

Plots the evolution of forces from VASP's OUTCAR file. Useful for analyzing optimization progression between or during job submissions.

Danil-phy-cmp-120/Elast

Code for calculating elastic modulus with VASP

Danil-phy-cmp-120/all_d_optimization

Danil-phy-cmp-120/ml_heusler_chgcar