Skip to content

Latest commit

 

History

History
15 lines (10 loc) · 327 Bytes

README.md

File metadata and controls

15 lines (10 loc) · 327 Bytes

phono_sub

A central way to submit phonon calculations.

Supported codes

  1. DFTB+

Codes in progress

  1. Quantum ESPRESSO
  2. CRYSTAL17

Setting environment variables

In the file env.py, you will need to set the path for various code-dependant variables. One example is the Slater-Koster files required by DFTB+.