套件： abinit-data (8.0.8-4)
abinit-data 的相關超連結
Trisquel 的資源：
下載原始碼套件 abinit：
維護者：
Original Maintainers:
- Debichem Team (郵件存檔)
- Andreas Tille
- Michael Banck
外部的資源：
- 主頁 [www.abinit.org]
相似套件：
package for electronic structure calculations (Data files)
ABINIT is a package whose main program allows one 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 (DFT), 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 simulations using these forces, or to generate dynamical matrices, Born effective charges, and dielectric tensors. Excited states can be computed within the Time-Dependent Density Functional Theory (for molecules), or within Many-Body Perturbation Theory (the GW approximation). In addition to the main ABINIT code, different utility programs are provided.
This package contains a set of pseudopotentials and example inputs.