все параметры
jessie  ] [  stretch  ] [  buster  ] [  sid  ]
[ Источник: abinit  ]

Пакет: abinit-data (7.8.2-2)

Ссылки для abinit-data

Screenshot

Ресурсы Debian:

Исходный код abinit:

Сопровождающие:

Внешние ресурсы:

Подобные пакеты:

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.

Загрузка abinit-data

Загрузить для всех доступных архитектур
Архитектура Размер пакета В установленном виде Файлы
all 11 625,1 Кб41 798,0 Кб [список файлов]