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ABINIT is a package whose main program allows to find the total energy, charge density and electronic structure of systems made of electrons and nuclei (molecules and periodic solids) within Density Functional Theory, using pseudopotentials and a planewave basis. ABINIT also includes options to optimize the geometry according to the DFT forces and stresses, or to perform molecular dynamics simulation using these forces, or to generate dynamical matrices, Born effective charges, and dielectric tensors. In addition to the main ABINIT code, different utility programs are provided.

Current Version:   3.1.1

License Type:   GPL

Home Site:

Source Code Availability:   Yes

Available Binary Packages:

  • Debian Package:   No
  • RedHat RPM Package:   No
  • Other Packages:   ??

Targeted Platforms:

PC/Linux based on PPro, PII or PIII processors, pghpf (PGI) compiler or fujitsu compiler, PC under Windows, HP/SPP1600, HP/S-class, HP/N-class based on the HP 7200, 8000 and 8500 processors, DEC alpha workstations under OSF, based on EV56, EV6 or EV67, DEC alpha workstations under Linux, based on EV56, IBM RS6000 (models : 590, 3CT, nighthawk) based on Power 2 and 3+ processors, SGI Origin 2000, CRAY T3E, FUJITSU VPP-700, Sun ultrasparc II, NEC, HITACHI SR8000, Mac

Software/Hardware Requirements:

See Home Site for detail

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