| Paketname | abinit |
| Beschreibung | A package for electronic structure calculations |
| Archiv/Repository | Offizielles Ubuntu Archiv lucid (universe) |
| Version | 5.3.4.dfsg-3build1 |
| Sektion | universe/science |
| Priorität | extra |
| Installierte Größe | 12032 Byte |
| Hängt ab von | libblas3gf | libblas.so.3gf | libatlas3gf-base, libc6 (>= 2.1), libgcc1 (>= 1:4.1.1), libgfortran3 ( |
| Empfohlene Pakete | |
| Paketbetreuer | Ubuntu Developers |
| Quelle | |
| Paketgröße | 4945286 Byte |
| Prüfsumme MD5 | a453907b120fbc1ee797b2506aa44ded |
| Prüfsumme SHA1 | 98f327d3139288ab6375fceed98ffd1f3b76550d |
| Prüfsumme SHA256 | a262fa3542f7b5b4207e5bba1125c62fb7be8ce94a408c3701aa41bd43c18d8c |
| Link zum Herunterladen | abinit_5.3.4.dfsg-3build1_i386.deb |
| Ausführliche Beschreibung | 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 all programs needed to perform calculations. For
documentation and tests, install the abinit-doc package.
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