Abinit is a plane wave psuedo-potential ab-initio simulation package for calculating the electronic structure and related physical quantities like total energy and forces. It has capability to not only to calculate Phonon, Infrared and Raman Spectra, but also the non-linear optical coefficient, using linear response theory.

GW and LAPW is the latest addition to the code for the more accurate state of the art techniques in the field. The full feature of the code is described in the ABINIT feature page.

Complete ABINIT feature

Proper environment setting for use of ABINIT is contained in the "abinit" module:

     module load abinit

For more information, including tutorials on how to use ABINIT, see the ABINIT website].

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