search

usnistgov / tb3py

TB3Py: Two- and three-body tight-binding calculations for materials
https://doi.org/10.1103/PhysRevMaterials.7.044603
Other
16 stars 3 forks source link

Possible typos in main.py #10

Open KeithKeyes opened 2 years ago

KeithKeyes commented 2 years ago
  1. missing "import sys" line
  2. The predicted band structure is plotted with ylabel being "eV", but I find it should be "Ry". So change the label or multiply the energies by 13.605662285137