elk-lapw binary package in Ubuntu Xenial amd64
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.
Publishing history
Date | Status | Target | Component | Section | Priority | Phased updates | Version | ||
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2016-02-15 17:09:01 UTC | Published | Ubuntu Xenial amd64 | release | universe | science | Optional | 2.3.22-1build2 | ||
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Deleted | Ubuntu Xenial amd64 | proposed | universe | science | Optional | 2.3.22-1build2 | |||
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2016-02-06 20:45:28 UTC | Superseded | Ubuntu Xenial amd64 | proposed | universe | science | Optional | 2.3.22-1build1 | ||
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2016-02-15 17:24:27 UTC | Superseded | Ubuntu Xenial amd64 | release | universe | science | Optional | 2.3.22-1 | ||
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