ELSI

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Source authors:
ELSI Team

License: Revised BSD

Download: ELSI Gitlab

Links to other ESL entries

Functionalities:

Software:

ELSI: ELectronic Structure Infrastructure is a software bundle and unified interface for methods that solve or circumvent eigenvalue problems in the self-consistent field cycle of density-functional theory.

The solver libraries supported and enhanced in ELSI are:

  • ELPA (the Eigenvalue SoLvers for Petaflop-Applications)
  • libOMM (the Orbital Minimization Method)
  • PEXSI (the Pole EXpansion and Selected Inversion method)

with more solvers coming soon.