\newpage
\section*{
\vskip 1em
ABINIT : 6. MANY CAPABILITIES }

\vskip 0.5em
\parbox{0.85\linewidth}{
\Large{
Features available in version 5.2 ({\red or planned for 2007}) :

\begin{itemize}
 \item
 representation of wavefunctions : {\green Plane Waves}; {\green
  Projector-Augmented Waves (the latter is not available for all capabilities)}
 \item
 LDA, GGA, spin-DFT (many functional forms)
 \item
 band structure, DOS, charge density, total energy
 \item
 many {\green pseudopotential} types : availability of Troullier-Martins
 and Hartwigsen-Goedecker-Hutter pseudopotentials for the full
 periodic table,
 interface with different pseudopotential codes, including FHI98PP,
 and N. Holzwarth PAW pseudo generator.
 Generation of alchemical pseudo-atoms.
 \item
 finite systems as well as insulators and metals (smearings : Fermi, Gaussian, Gauss-Hermite, Marzari modifications)
 \item
 {\black{~}}{\green automatic k-point sampling} of the irreducible Brillouin zone
 \item
 symmetry analyser (includes a {\green database of the 230 spatial groups}, and
  a database of the 1191 Shubnikov magnetic groups)
 \item
 forces, stresses, {\green automatic optimisation}
 of atomic positions and unit cell parameters
 (Broyden and Molecular dynamics with damping; {\red soon, delocalised internal coordinates})
 \item
 {\black{~}}{\green molecular dynamics} (Verlet or Numerov), Nose thermostat, Langevin dynamics
 \item
 {\black{~}}{\green spin-orbit coupling}
  {\red soon compatible with spin-polarisation}
\end{itemize}
}}
