1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167
|
<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 3.2 Final//EN">
<!--Converted with LaTeX2HTML 2019.2 (Released June 5, 2019) -->
<HTML lang="EN">
<HEAD>
<TITLE>2 People</TITLE>
<META NAME="description" CONTENT="2 People">
<META NAME="keywords" CONTENT="user_guide">
<META NAME="resource-type" CONTENT="document">
<META NAME="distribution" CONTENT="global">
<META HTTP-EQUIV="Content-Type" CONTENT="text/html; charset=utf-8">
<META NAME="viewport" CONTENT="width=device-width, initial-scale=1.0">
<META NAME="Generator" CONTENT="LaTeX2HTML v2019.2">
<LINK REL="STYLESHEET" HREF="user_guide.css">
<LINK REL="next" HREF="node4.html">
<LINK REL="previous" HREF="node2.html">
<LINK REL="next" HREF="node4.html">
</HEAD>
<BODY >
<!--Navigation Panel-->
<A
HREF="node4.html">
<IMG WIDTH="37" HEIGHT="24" ALT="next" SRC="next.png"></A>
<A
HREF="user_guide.html">
<IMG WIDTH="26" HEIGHT="24" ALT="up" SRC="up.png"></A>
<A
HREF="node2.html">
<IMG WIDTH="63" HEIGHT="24" ALT="previous" SRC="prev.png"></A>
<A ID="tex2html49"
HREF="node1.html">
<IMG WIDTH="65" HEIGHT="24" ALT="contents" SRC="contents.png"></A>
<BR>
<B> Next:</B> <A
HREF="node4.html">3 Installation</A>
<B> Up:</B> <A
HREF="user_guide.html">User's Guide for the</A>
<B> Previous:</B> <A
HREF="node2.html">1 Introduction</A>
<B> <A ID="tex2html50"
HREF="node1.html">Contents</A></B>
<BR>
<BR>
<!--End of Navigation Panel-->
<H1><A ID="SECTION00030000000000000000">
2 People</A>
</H1>
The <TT>PHonon</TT> package
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>Michele Lazzeri (Univ.Paris VI) for the 2n+1 code and Raman
cross section calculation with 2nd-order response;
</LI>
<LI>Andrea Dal Corso for the implementation of Ultrasoft, PAW,
noncolinear, spin-orbit extensions to <TT>PHonon</TT>;
</LI>
<LI>Mitsuaki Kawamura (U.Tokyo) for implementation of the optimized
tetrahedron method in phonon and electron-phonon calculations;
</LI>
<LI>Thibault Sohier, Matteo Calandra, Francesco Mauri, for
phonons in two-dimensional systems;
</LI>
<LI>Andrea Floris, Iurii Timrov, Burak Himmetoglu, Nicola Marzari,
Stefano de Gironcoli, and Matteo Cococcioni, for phonons using
Hubbard-corrected DFPT (DFPT+<I>U</I>).
</LI>
</UL>
<P>
The <TT>PlotPhon</TT> and <TT>QHA</TT> packages were contribute by the
late Prof. Eyvaz Isaev.
<P>
Other contributors include: Lorenzo Paulatto (Univ. Paris VI) for
PAW, 2n+1 code; William Parker (Argonne) for phonon terms in dielectric
tensor; Tobias Wassmann (Univ. Paris VI) for third-order derivatives of GGA
potential. Weicheng Bao (Nanjing University) and Norge Cruz Hernandez
(Universidad de Sevilla) helped debugging the phonon code.
<P>
We shall greatly appreciate if scientific work done using the Q<SMALL>UANTUM </SMALL>ESPRESSO
distribution will contain an acknowledgment to the following references:
<BLOCKQUOTE>
P. Giannozzi, S. Baroni, N. Bonini, M. Calandra, R. Car, C. Cavazzoni,
D. Ceresoli, G. L. Chiarotti, M. Cococcioni, I. Dabo, A. Dal Corso,
S. Fabris, G. Fratesi, S. de Gironcoli, R. Gebauer, U. Gerstmann,
C. Gougoussis, A. Kokalj, M. Lazzeri, L. Martin-Samos, N. Marzari,
F. Mauri, R. Mazzarello, S. Paolini, A. Pasquarello, L. Paulatto,
C. Sbraccia, S. Scandolo, G. Sclauzero, A. P. Seitsonen, A. Smogunov,
P. Umari, R. M. Wentzcovitch,
J.Phys.: Condens.Matter 21, 395502 (2009)
</BLOCKQUOTE>
and
<BLOCKQUOTE>
P. Giannozzi, O. Andreussi, T. Brumme, O. Bunau, M. Buongiorno Nardelli,
M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, M. Cococcioni, N. Colonna,
I. Carnimeo, A. Dal Corso, S. de Gironcoli, P. Delugas, R. A. DiStasio Jr,
A. Ferretti, A. Floris, G. Fratesi, G. Fugallo, R. Gebauer, U. Gerstmann,
F. Giustino, T. Gorni, J Jia, M. Kawamura, H.-Y. Ko, A. Kokalj,
E. Küçükbenli, M .Lazzeri, M. Marsili, N. Marzari, F. Mauri,
N. L. Nguyen, H.-V. Nguyen, A. Otero-de-la-Roza, L. Paulatto, S. Poncé,
D. Rocca, R. Sabatini, B. Santra, M. Schlipf, A. P. Seitsonen, A. Smogunov,
I. Timrov, T. Thonhauser, P. Umari, N. Vast, X. Wu, S. Baroni,
J.Phys.: Condens.Matter 29, 465901 (2017)
</BLOCKQUOTE>
<P>
Users of the GPU-enabled version should also cite the following paper:
<BLOCKQUOTE>
P. Giannozzi, O. Baseggio, P. Bonfà, D. Brunato, R. Car, I. Carnimeo,
C. Cavazzoni, S. de Gironcoli, P. Delugas, F. Ferrari Ruffino,
A. Ferretti, N. Marzari, I. Timrov, A. Urru, S. Baroni,
J. Chem. Phys. 152, 154105 (2020)
</BLOCKQUOTE>
<P>
Note the form Q<SMALL>UANTUM </SMALL>ESPRESSO for textual citations of the code.
Please also see package-specific documentation for
further recommended citations.
Pseudopotentials should be cited as (for instance)
<BLOCKQUOTE>
[ ] We used the pseudopotentials C.pbe-rrjkus.UPF
and O.pbe-vbc.UPF from
<BR><TT>http://www.quantum-espresso.org</TT>.
</BLOCKQUOTE>
<P>
<HR>
<!--Navigation Panel-->
<A
HREF="node4.html">
<IMG WIDTH="37" HEIGHT="24" ALT="next" SRC="next.png"></A>
<A
HREF="user_guide.html">
<IMG WIDTH="26" HEIGHT="24" ALT="up" SRC="up.png"></A>
<A
HREF="node2.html">
<IMG WIDTH="63" HEIGHT="24" ALT="previous" SRC="prev.png"></A>
<A ID="tex2html49"
HREF="node1.html">
<IMG WIDTH="65" HEIGHT="24" ALT="contents" SRC="contents.png"></A>
<BR>
<B> Next:</B> <A
HREF="node4.html">3 Installation</A>
<B> Up:</B> <A
HREF="user_guide.html">User's Guide for the</A>
<B> Previous:</B> <A
HREF="node2.html">1 Introduction</A>
<B> <A ID="tex2html50"
HREF="node1.html">Contents</A></B>
<!--End of Navigation Panel-->
</BODY>
</HTML>
|