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
168
169
170
171
172
173
174
175
176
177
178
179
180
|
<!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 and terms of use</TITLE>
<META NAME="description" CONTENT="2 People and terms of use">
<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="tex2html38"
HREF="node1.html">
<IMG WIDTH="65" HEIGHT="24" ALT="contents" SRC="contents.png"></A>
<BR>
<B> Next:</B> <A
HREF="node4.html">3 Compilation</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="tex2html39"
HREF="node1.html">Contents</A></B>
<BR>
<BR>
<!--End of Navigation Panel-->
<H1><A ID="SECTION00030000000000000000">
2 People and terms of use</A>
</H1>
<P>
The <TT>PostProc</TT> package was originally developed by Stefano Baroni,
Stefano de Gironcoli, Andrea Dal Corso (SISSA), Paolo Giannozzi
(Univ. Udine), and many others. We mention in particular:
<UL>
<LI>Yang Jiao, Elsebeth Schröder, Per Hyldgaard (Chalmers) for the
<TT>ppacf.x</TT> code;
</LI>
<LI>Alberto Otero-de-la-Roza for the <TT>pw2critic.x</TT> utility;
</LI>
<LI>Junfeng Qiao for improvements to <TT>plotband.x</TT>;
</LI>
<LI>Olivia Pulci, Adriano Mosca Conte, Davide Grassano (RomaII)
for the <TT>pw2gw</TT> utility;
</LI>
<LI>Cyrille Barreteau and Alexander Smogunov (CEA) for
magnetic anisotropy with the Force Theorem in <TT>projwfc.f90</TT>;
</LI>
<LI>Andrea Benassi (SISSA) for the <TT>epsilon</TT> utility,
Tae Yun Kim and Cheol-Hwan Park (Seoul National University)
for fixes to it;
</LI>
<LI>Dmitry Korotin (Inst. Met. Phys. Ekaterinburg) for the
<TT>wannier_ham</TT> utility;
</LI>
<LI>Georgy Samsonidze (Bosch Research) for the interface
with the Berkeley GW code;
</LI>
<LI>The late Prof. Eyvaz Isaev for the Fermi Surface code;
</LI>
<LI>Natalie Holzwarth (WFU) for the PAW projection in code
<TT>projwfc.f90</TT>;
</LI>
<LI>Takashi Koretsune and Florian Thoele (ETHZ) for noncollinear
magnetisation support with USPP and PAW pseudopotentials in
code <TT>pw2wannier.f90</TT>.
</LI>
<LI>Leopold Talirz (U.York) for extensions and fixes to <TT>pp.x</TT>.
</LI>
</UL>
<P>
<TT>PostProc</TT> is free software, released under the
GNU General Public License. See:
<BR><TT>http://www.gnu.org/licenses/old-licenses/gpl-2.0.txt</TT>,
or the file License in the distribution).
<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="tex2html38"
HREF="node1.html">
<IMG WIDTH="65" HEIGHT="24" ALT="contents" SRC="contents.png"></A>
<BR>
<B> Next:</B> <A
HREF="node4.html">3 Compilation</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="tex2html39"
HREF="node1.html">Contents</A></B>
<!--End of Navigation Panel-->
</BODY>
</HTML>
|
