PTBP Documentation
Contents:
PTBP_Lab
Methodology in brief
Overall Performance of All Elements
See also
Citation
PTBPlus
Introduction
Method
Results
QM7x — small organic molecules (PBE0+MBD reference)
Tungsten — transition-metal materials (PBE reference)
MD22 — CCSD(T) benchmark (Benzene, Malonaldehyde, Toluene)
Takeaways
Citation
SKF File Download
Options
1. Select parameter set
2. Choose elements
3. Generate and download
How to use the SKFs in DFTB+
PTBP Documentation
Index
Index