freebsd-ports/science/abinit/pkg-descr
Maho Nakata ac5d33bc97 Add abinit, calculates total energy, charge density
and electronic structure of systems.
2004-08-14 08:45:42 +00:00

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/