Information

Official site

https://github.com/tkotani/ecalj

License

Free (need to refer when publishing)

Availability

Can be installed on notebook PC (Ubuntu and other OS); easy installation with installation checker. For relatively small systems, parallelization using a single node (with about 16 cores) is supported.

Core Developers

Takao Kotani (Graduate School of Engineering, Tottori University)

Target substance/model

General systems. For QSGW, only up to around 10 atoms are supported because of load. Slab calculation is also possible, but is currently undergoing testing.

Physical quantities that can be computed

Quasiparticle energy, quasiparticle wave function, permittivity, spin fluctuation, etc.

Methodology

LAPW, LMTO, GW, PMT, quasiparticle self-consistent GW。

Related keywords
Document
  • Takao Kotani, Mark van Schilfgaarde, and Sergey V. Faleev Phys. Rev. B 76, 165106(2007).
  • Takao Kotani and Mark van Schilfgaarde Phys. Rev. B 81, 125117 (2010).

The application has since been enhanced significantly.