Keywords: user_guide

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## 1.2 People

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 Contents