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  • LmtART

LmtART

  • Openness:3 ★★★
  • Document quality:2 ★★☆

An open-source application for all-electron first-principles calculation based on augmented plane-wave basis. It performs electronic-state calculation such as band calculation of solids and structure optimization. The all-electron method, which treats core electrons explicitly, improves accuracy compared with pseudo-potential methods. This package can also treat strong electronic correlations by combining electronic-state calculation with the dynamical mean-field approximation.

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Information

Official site

http://savrasov.physics.ucdavis.edu/mindlab/MaterialResearch/Scientific/index_lmtart.htm

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License

Original license

LmtART 6 http://savrasov.physics.ucdavis.edu/mindlab/MaterialResearch/Scientific/LmtART/Download6/license.htm
LmtART 7 http://savrasov.physics.ucdavis.edu/mindlab/MaterialResearch/Scientific/LmtART/Download7/license.htm
LmtART 9 http://savrasov.physics.ucdavis.edu/mindlab/MaterialResearch/Scientific/LmtART/Download9/license.htm

Availability

Can be compiled on Unix/Linux

Methodology

LDA/LSDA, LDA+U, LDA+DMFT, LDA+FLEX, LDA+CPA

Parallelization

Parallel computations for k-points

Related keywords
  • All-electron method
  • Coherent Potential Approximation (CPA)
  • Density functional method
  • Dynamical Mean Field Theory (DMFT)
  • Kohn-Sham method
Document

S. Y. Savrasov, Phys. Rev. B 54, 16470 (1996).

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