资 源 简 介
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 or wavelet 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, based on Density-Functional Perturbation Theory, and many more properties. Excited states can be computed within the Many-Body Perturbation Theory (the GW approximation and the Bethe-Salpeter
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abinit-7.10.5
tests
README
COPYING
scripts
doc
ChangeLog
patch.YamboHowTo
config.dump.in
NEWS
AUTHORS
aclocal.m4
README.xlf
KNOWN_PROBLEMS
Makefile.am
configure.ac
pre_configure_nag.sh
config.h.in
wipeout.sh
bindings
config.sh.in
RELNOTES
post_configure_nag.sh
patch.Yambo
special
configure
PACKAGING
config
README.ChangeLog
developers
fallbacks
config.pc.in
autogen.sh
packages
README.GPU
INSTALL
mkrobodoc.sh
src
Makefile.in
THANKS
