Update README.md

parent 9e1cb123
# DV computation for multi components materials
The geometry of a hydrogen atom in an interstitial site in a W sample was
obtained as follows:
1. A pristine W sample based in a bcc unit cell is build and energy
......
Markdown is supported
0% or
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment