elk-lapw 2.2.5-1build1 (amd64 binary) in ubuntu trusty
Elk is an all-electron full-potential linearised augmented-plane wave
(FP-LAPW) code. By not including pseudo-potentials, Elk can provide very
reliable high-precision results and works for every chemical element. Features
include:
.
* FP-LAPW basis with local-orbitals
* APW radial derivative matching to arbitrary orders at muffin-tin surface
(super-LAPW, etc.)
* Arbitrary number of local-orbitals allowed (all core states can be made
valence for example)
* Total energies resolved into components
* LSDA and GGA functionals available
* Isolated molecules or periodic systems
* Core states treated with the radial Dirac equation
.
Elk is parallelized via OpenMP.
Details
- Package version:
- 2.2.5-1build1
- Status:
- Superseded
- Component:
- universe
- Priority:
- Optional
Downloadable files
amd64 build of elkcode 2.2.5-1build1 in ubuntu trusty PROPOSED produced
these files:
- elk-lapw_2.2.5-1build1_amd64.deb (1.9 MiB)
Package relationships
- Suggests: