mirror of
https://git.FreeBSD.org/ports.git
synced 2024-12-12 03:00:28 +00:00
ac5d33bc97
and electronic structure of systems.
8 lines
305 B
Plaintext
8 lines
305 B
Plaintext
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 nulcei (molecules and periodic
|
|
solids) within Density Functional Theory (DFT), using pseudo-
|
|
potentials and a planewave basis.
|
|
|
|
WWW: http://www.abinit.org/
|