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The PWscf package (which included PHonon 
and PostProc 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:
- Matteo Cococcioni (Univ. Minnesota) for DFT+U implementation;
- David Vanderbilt's group at Rutgers for Berry's phase
  calculations;
- 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;
- Paolo Umari (Univ. Padua) for finite electric fields;
- 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);
- Ismaila Dabo (INRIA, Palaiseau) for electrostatics with
  free boundary conditions;
- Norbert Nemec and Mike Towler (U.Cambridge) for interface with 
  CASINO;
- Alexander Smogunov (CEA) for extended and noncollinear DFT+U
  implementation;
- Burak Himmetoglou (Univ. Minnesota) for DFT+U+J implementation;
- Andrei Malashevich (Univ. Berkeley) for calculation of orbital
   magnetization;
- Gabriele Sclauzero (IRRMA Lausanne) for DFT+U
   with on-site occupations obtained from pseudopotential projectors.
Other relevant contributions to PWscf:
- Yves Ferro (Univ. Provence) contributed SOGGA and M06L functionls
- 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])
- 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);
- Hannu-Pekka Komsa (CSEA/Lausanne) contributed
  the HSE functional;
- Dispersions interaction in the framework of DFT-D were
  contributed by Daniel Forrer (Padua Univ.) and Michele Pavone
  (Naples Univ. Federico II);
- Filippo Spiga (ICHEC) contributed the
  mixed MPI-OpenMP parallelization;
- The initial BlueGene porting was done by Costas Bekas and
  Alessandro Curioni (IBM Zurich).
This guide was mostly written by Paolo Giannozzi.
Mike Towler
wrote the PWscf to CASINO subsection.
 
 
 
 
 
 
 
  
 Next: 1.3 Terms of use
 Up: 1 Introduction
 Previous: 1.1 What can PWscf
     Contents 
Layla Martin-Samos Colomer
2012-11-21