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The PWscf package (which in earlier releases included
PHonon and PostProc)
was originally developed by Stefano Baroni, Stefano
de Gironcoli, Andrea Dal Corso (SISSA), Paolo Giannozzi (Univ. Udine), 
and many others. We quote in particular:
- David Vanderbilt's group at Rutgers for Berry's phase
  calculations;
- Paolo Umari (Univ. Padua) for finite electric fields;
- Ralph Gebauer (ICTP, Trieste) and Adriano Mosca Conte
  (SISSA, Trieste) for noncollinear magnetism;
- Andrea Dal Corso for spin-orbit interactions;
- Carlo Sbraccia (Princeton) for improvements to structural
  optimization and to many other parts;
- Dario Alfè (University College London) for implementation
  of Born-Oppenheimer molecular dynamics;
- Renata Wentzcovitch and collaborators (Univ. Minnesota)
  for variable-cell molecular dynamics;
- Lorenzo Paulatto (Univ.Paris VI) for PAW implementation, 
  built upon previous work by Guido Fratesi (Univ.Milano Bicocca)
  and Riccardo Mazzarello (ETHZ-USI Lugano);
- Matteo Cococcioni (Univ. Minnesota) for DFT+U implementation;
- Timo Thonhauser (WFU) for vdW-DF, svdW-DF, and variants;
and the more recent contributors:
- Gabriel S. Gusmão (Georgia Tech) and Johannes Voss (ANL)
    for BEEF support;
- Miha Gunde for interface with Grimme's DFT-D3 code, as
	repackaged by Bàlint Aradi
- Pietro Bonfà (CINECA) for memory estimator;
- Michele Ceriotti and Riccardo Petraglia (EPFL Lausanne) for
        interfacing with i-PI;
- Taylor Barnes (LBL) and Nicola Varini (CSCS) for improvements
        to hybrid functionals;
- Robert DiStasio (Cornell), Biswajit Santra (Princeton),
        Hsin-Yu Ko (Princeton), Thomas Markovich (Harvard) for
        Tkatchenko-Scheffler stress in PWscf;
- Jong-Won Song (RIKEN) for Gau-PBE functional;
- Alberto Otero de la Roza (Merced Univ.) for XDM (exchange-hole 
        dipole moment) model of dispersions, PW86 (unrevised) and B86B
        functionals;
- Hannu-Pekka Komsa (CSEA/Lausanne) for the HSE functional;
- Gabriele Sclauzero (IRRMA Lausanne) for DFT+U
        with on-site occupations obtained from pseudopotential projectors;
- Alexander Smogunov (CEA) for DFT+U with noncollinear magnetization
        and for calculation of Magnetic Anisotropy Energy using the Force
        Theorem;
- Burak Himmetoglou (UCSB) for DFT+U+J;
- Xiaochuan Ge (SISSA) for Smart MonteCarlo Langevin dynamics;
- Andrei Malashevich (Univ. Berkeley) for calculation of orbital
        magnetization;
- 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]);
- Dario Alfè, Mike Towler (University College London), 
        Norbert Nemec (U.Cambridge) for the interface with CASINO.
This guide was mostly written by Paolo Giannozzi.
Mike Towler wrote the PWscf to CASINO subsection.
Michele Ceriotti and Riccardo Petraglia wrote the subsection on i-PI
interface.
 
 
 
 
 
 
 
  
 Next: 1.3 Terms of use
 Up: 1 Introduction
 Previous: 1.1 What can PWscf
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