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<H1><A ID="SECTION00030000000000000000">
2 People and terms of use</A>
</H1>
The current maintainers of <TT>PWneb</TT> are Layla Martin-Samos,
Paolo Giannozzi, Stefano de Gironcoli.
The original Q<SMALL>UANTUM </SMALL>ESPRESSO implementation of NEB was written
by Carlo Sbraccia.
<P>
<TT>PWneb</TT> is free software, released under the
GNU General Public License.
<BR>
See
<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>
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