BoltzTraP2¶
Description¶
BoltzTraP2 provides a numerically stable and efficient method for obtaining analytic representations of electronic bands based on density-functional-theory results for relatively sparse grids. It achieves this goal by using smoothed Fourier interpolation.
More information¶
- Homepage: https://www.boltztrap.org
Included extensions¶
BoltzTraP2-22.12.1
Availability¶
| Module | NIC5 | Hercules2 | Dragon2 | Lemaitre3 | Dragon1 |
|---|---|---|---|---|---|
| BoltzTraP2/22.12.1-foss-2022a | ✓ |