Tools and scripts

Interactive python script to fit energy vs volume to several equations of state (eos-fit.py) and generic polynomial (eos-fit-poly.py).

Interactive python script to fit pressure vs volume to several equations of state (eos-PV-fit.py).

Incomplete script to generate k-point paths in the Brillouin zone (generate_kpoints_path.py).
ċ
Davide Ceresoli,
Jan 22, 2014, 5:54 AM
ċ
Davide Ceresoli,
Jan 22, 2014, 5:54 AM
ċ
Davide Ceresoli,
Jan 22, 2014, 5:54 AM
ċ
Davide Ceresoli,
Feb 3, 2015, 7:56 AM
Comments