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[ Source: elkcode  ]

Package: elk-lapw (2.2.5-1)

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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.

Other Packages Related to elk-lapw

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    Command-line driven interactive plotting program

Download elk-lapw

Download for all available architectures
Architecture Package Size Installed Size Files
amd64 1,923.1 kB4,369.0 kB [list of files]
i386 1,691.0 kB3,998.0 kB [list of files]