libxc¶
Description¶
Libxc is a library of exchange-correlation functionals for density-functional theory. The aim is to provide a portable, well tested and reliable set of exchange and correlation functionals.
More information¶
Availability¶
| Module | NIC5 | Hercules2 | Dragon2 | Lemaitre3 | Dragon1 |
|---|---|---|---|---|---|
| libxc/2.2.3-intel-2017b | ✓ | ||||
| libxc/3.0.0-GCC-5.4.0-2.26 | ✓ | ||||
| libxc/3.0.0-intel-2016a | ✓ | ||||
| libxc/3.0.0-intel-2017b | ✓ | ✓ | |||
| libxc/3.0.1-intel-2018a | ✓ | ✓ | |||
| libxc/3.0.1-intel-2018b | ✓ | ✓ | ✓ | ||
| libxc/4.0.1-intel-2017b | ✓ | ||||
| libxc/4.2.3-foss-2018b | ✓ | ✓ | ✓ | ||
| libxc/4.2.3-intel-2018a | ✓ | ||||
| libxc/4.2.3-intel-2018b | ✓ | ✓ | ✓ | ||
| libxc/4.3.4-GCC-10.2.0 | ✓ | ||||
| libxc/4.3.4-GCC-8.3.0 | ✓ | ||||
| libxc/4.3.4-GCC-9.3.0 | ✓ | ||||
| libxc/4.3.4-iccifort-2019.5.281 | ✓ | ✓ | ✓ | ||
| libxc/4.3.4-iccifort-2020.1.217 | ✓ | ✓ | ✓ | ||
| libxc/4.3.4-iccifort-2020.4.304 | ✓ | ✓ | ✓ | ✓ | |
| libxc/4.3.4-intel-compilers-2021.4.0 | ✓ | ||||
| libxc/5.1.5-GCC-10.3.0 | ✓ | ||||
| libxc/5.1.5-intel-compilers-2021.2.0 | ✓ | ✓ | ✓ | ||
| libxc/5.1.6-GCC-11.2.0 | ✓ | ||||
| libxc/5.1.6-intel-compilers-2021.4.0 | ✓ | ✓ | ✓ | ||
| libxc/5.2.3-GCC-11.3.0 | ✓ | ✓ | ✓ | ||
| libxc/5.2.3-intel-compilers-2022.1.0 | ✓ | ✓ | |||
| libxc/6.1.0-GCC-12.2.0 | ✓ | ✓ | ✓ | ||
| libxc/6.1.0-intel-compilers-2022.2.1 | ✓ | ||||
| libxc/6.2.2-GCC-12.3.0 | ✓ | ||||
| libxc/6.2.2-GCC-13.2.0 | ✓ | ||||
| libxc/6.2.2-intel-compilers-2023.1.0 | ✓ |