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<H2><A NAME="SECTION00022000000000000000">
1.2 People</A>
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<P>
The <TT>PWscf</TT> package (which included <TT>PHonon</TT>
and <TT>PostProc</TT> in earlier releases)
was originally developed by Stefano Baroni, Stefano
de Gironcoli, Andrea Dal Corso (SISSA), Paolo Giannozzi (Univ. Udine), and many others.
We quote in particular:
<UL>
<LI>David Vanderbilt's group at Rutgers for Berry's phase
calculations;
</LI>
<LI>Paolo Umari (Univ. Padua) for finite electric fields;
</LI>
<LI>Ralph Gebauer (ICTP, Trieste) and Adriano Mosca Conte
(SISSA, Trieste) for noncollinear magnetism;
</LI>
<LI>Andrea Dal Corso for spin-orbit interactions;
</LI>
<LI>Carlo Sbraccia (Princeton) for improvements to structural
optimization and to many other parts;
</LI>
<LI>Dario Alfè (University College London) for implementation
of Born-Oppenheimer molecular dynamics;
</LI>
<LI>Renata Wentzcovitch and collaborators (Univ. Minnesota)
for variable-cell molecular dynamics;
</LI>
<LI>Lorenzo Paulatto (Univ.Paris VI) for PAW implementation,
built upon previous work by Guido Fratesi (Univ.Milano Bicocca)
and Riccardo Mazzarello (ETHZ-USI Lugano);
</LI>
<LI>Dario Alfè, Mike Towler (University College London),
Norbert Nemec (U.Cambridge) for interface with <TT>CASINO</TT>;
</LI>
<LI>Matteo Cococcioni (Univ. Minnesota) for DFT+U implementation;
</LI>
<LI>Gabriele Sclauzero (IRRMA Lausanne) for DFT+U
with on-site occupations obtained from pseudopotential projectors;
</LI>
<LI>Alexander Smogunov (CEA) for extended and noncollinear DFT+U
implementation;
</LI>
<LI>Burak Himmetoglou (Univ. Minnesota) for DFT+U+J implementation;
</LI>
<LI>Andrei Malashevich (Univ. Berkeley) for calculation of orbital
magnetization.
</LI>
<LI>J.-W. Song for Gau-PBE implementation
</LI>
</UL>
<P>
Other relevant contributions to <TT>PWscf</TT>:
<UL>
<LI>Axel Kohlmeyer contributed libraries and utilities to call <TT>PWscf</TT>
from external codes (see the <TT>COUPLE</TT> sub-directory), made the
parallelization more modular and usable by external codes.
</LI>
<LI>Ikutaro Hamada (NIMS, Japan) contributed OPTB86B-vdW and REV-vdW-DF2
functionals.
</LI>
<LI>Alberto Otero de la Roza (Merced Univ.) contributed XDM (exchange-hole
dipole moment) model of dispersions, PW86 (unrevised) and B86B functionals.
</LI>
<LI>Xiaochuan Ge (SISSA) contributed Smart MonteCarlo Langevin dynamics
</LI>
<LI>Yves Ferro (Univ. Provence) contributed SOGGA and M06L functionals
</LI>
<LI>Minoru Otani (AIST), Yoshio Miura (Tohoku U.),
Nicephore Bonet (MIT), Nicola Marzari (Univ. Oxford),
Brandon Wood (LLNL), Tadashi Ogitsu (LLNL), contributed
Effective Screening Method (PRB 73, 115407 [2006])
</LI>
<LI>Brian Kolb and Timo Thonhauser (Wake Forest University)
implemented the vdW-DF and vdW-DF2 functionals, with support from
Riccardo Sabatini and Stefano de Gironcoli (SISSA and DEMOCRITOS);
</LI>
<LI>Hannu-Pekka Komsa (CSEA/Lausanne) contributed
the HSE functional;
</LI>
<LI>Dispersions interaction in the framework of DFT-D were
contributed by Daniel Forrer (Padua Univ.) and Michele Pavone
(Naples Univ. Federico II);
</LI>
<LI>Filippo Spiga (ICHEC) contributed the
mixed MPI-OpenMP parallelization;
</LI>
<LI>The initial BlueGene porting was done by Costas Bekas and
Alessandro Curioni (IBM Zurich).
</LI>
</UL>
<P>
This guide was mostly written by Paolo Giannozzi.
Mike Towler
wrote the <TT>PWscf</TT> to <TT>CASINO</TT> subsection.
<P>
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<ADDRESS>
paolo giannozzi
2014-05-28
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