Binary package “elk-lapw” in ubuntu xenial
All-Electron Density-Functional Electronic Structure Code
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.
Source package
Published versions
- elk-lapw 2.3.22-1build2 in amd64 (Proposed)
- elk-lapw 2.3.22-1build2 in amd64 (Release)
- elk-lapw 2.3.22-1build2 in arm64 (Proposed)
- elk-lapw 2.3.22-1build2 in arm64 (Release)
- elk-lapw 2.3.22-1build2 in armhf (Proposed)
- elk-lapw 2.3.22-1build2 in armhf (Release)
- elk-lapw 2.3.22-1build2 in i386 (Proposed)
- elk-lapw 2.3.22-1build2 in i386 (Release)
- elk-lapw 2.3.22-1build2 in powerpc (Proposed)
- elk-lapw 2.3.22-1build2 in powerpc (Release)
- elk-lapw 2.3.22-1build2 in ppc64el (Proposed)
- elk-lapw 2.3.22-1build2 in ppc64el (Release)
- elk-lapw 2.3.22-1build2 in s390x (Proposed)
- elk-lapw 2.3.22-1build2 in s390x (Release)