| Paketname | abinit-doc |
| Beschreibung | A package for electronic structure calculations |
| Archiv/Repository | Offizielles Debian Archiv squeeze (main) |
| Version | 5.3.4.dfsg-3 |
| Sektion | doc |
| Priorität | extra |
| Installierte Größe | 25396 Byte |
| Hängt ab von | |
| Empfohlene Pakete | |
| Paketbetreuer | Debian Scientific Computing Team |
| Quelle | abinit |
| Paketgröße | 17017858 Byte |
| Prüfsumme MD5 | e5123a9b545b06489abb0590dae9413b |
| Prüfsumme SHA1 | 0e3af2448ca737e0421c31cd79ee9c4fdcc4ddde |
| Prüfsumme SHA256 | ae9f311bd8d3547297f773e60f8626b3a389a42ed90de5eb1f620ff2b339e2ff |
| Link zum Herunterladen | abinit-doc_5.3.4.dfsg-3_all.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 documentation and tests.
|