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1.2 People</A>
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<P>
The <TT>PWscf</TT> package (which in earlier releases included
<TT>PHonon</TT> and <TT>PostProc</TT>)
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>Matteo Cococcioni (Univ. Minnesota) for DFT+U implementation;
</LI>
<LI>Timo Thonhauser (WFU) for vdW-DF, svdW-DF, and variants;
</LI>
</UL>
and the more recent contributors:
<UL>
<LI>Gabriel S. Gusmão (Georgia Tech) and Johannes Voss (ANL)
for BEEF support;
</LI>
<LI>Miha Gunde for interface with Grimme's DFT-D3 code, as
repackaged by Bàlint Aradi
</LI>
<LI>Pietro Bonfà (CINECA) for memory estimator;
</LI>
<LI>Michele Ceriotti and Riccardo Petraglia (EPFL Lausanne) for
interfacing with i-PI;
</LI>
<LI>Taylor Barnes (LBL) and Nicola Varini (CSCS) for improvements
to hybrid functionals;
</LI>
<LI>Robert DiStasio (Cornell), Biswajit Santra (Princeton),
Hsin-Yu Ko (Princeton), Thomas Markovich (Harvard) for
Tkatchenko-Scheffler stress in PWscf;
</LI>
<LI>Jong-Won Song (RIKEN) for Gau-PBE functional;
</LI>
<LI>Alberto Otero de la Roza (Merced Univ.) for XDM (exchange-hole
dipole moment) model of dispersions, PW86 (unrevised) and B86B
functionals;
</LI>
<LI>Hannu-Pekka Komsa (CSEA/Lausanne) for the HSE functional;
</LI>
<LI>Gabriele Sclauzero (IRRMA Lausanne) for DFT+U
with on-site occupations obtained from pseudopotential projectors;
</LI>
<LI>Alexander Smogunov (CEA) for DFT+U with noncollinear magnetization
and for calculation of Magnetic Anisotropy Energy using the Force
Theorem;
</LI>
<LI>Burak Himmetoglou (UCSB) for DFT+U+J;
</LI>
<LI>Xiaochuan Ge (SISSA) for Smart MonteCarlo Langevin dynamics;
</LI>
<LI>Andrei Malashevich (Univ. Berkeley) for calculation of orbital
magnetization;
</LI>
<LI>Minoru Otani (AIST), Yoshio Miura (Tohoku U.),
Nicephore Bonet (MIT), Nicola Marzari (Univ. Oxford),
Brandon Wood (LLNL), Tadashi Ogitsu (LLNL), for ESM,
Effective Screening Method (PRB 73, 115407 [2006]);
</LI>
<LI>Dario Alfè, Mike Towler (University College London),
Norbert Nemec (U.Cambridge) for the interface with <TT>CASINO</TT>.
</LI>
</UL>
<P>
This guide was mostly written by Paolo Giannozzi.
Mike Towler wrote the <TT>PWscf</TT> to <TT>CASINO</TT> subsection.
Michele Ceriotti and Riccardo Petraglia wrote the subsection on i-PI
interface.
<P>
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