Search this site
Embedded Files
Dr. Pranav Kumar
  • Home
  • Research
  • Publications
  • Teaching
  • Software and Data
  • Image Gallary
Dr. Pranav Kumar
  • Home
  • Research
  • Publications
  • Teaching
  • Software and Data
  • Image Gallary
  • More
    • Home
    • Research
    • Publications
    • Teaching
    • Software and Data
    • Image Gallary

Iron-hydrogen interatomic potential for lammps

Moment Tensor Potential for hydrogen inside TiCr2 Laves Phase

elastic_vasp

This package is created as python library to facilitate density functional theory based package VASP to calculate Second-order elastic constants from strain-energy relationship. This tool is only compatible with DFT package VASP.  

For installing this Library using pip


pip install elastic-vasp


Examples and source code are available 

Google Sites
Report abuse
Page details
Page updated
Google Sites
Report abuse