elk-lapw 2.2.10-1 (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:
2.2.10-1
Source:
elkcode 2.2.10-1 source package in Ubuntu
Status:
Published
Component:
universe
Priority:
Optional