TABLE OF CONTENTS


ABINIT/m_out_acknowl [ Modules ]

[ Top ] [ Modules ]

NAME

  m_out_acknowl

FUNCTION

 Echo acknowledgments for the ABINIT code.

COPYRIGHT

  Copyright (C) 2008-2022 ABINIT group (XG)
  This file is distributed under the terms of the
  GNU General Public License, see ~abinit/COPYING
  or http://www.gnu.org/copyleft/gpl.txt .

SOURCE

16 #if defined HAVE_CONFIG_H
17 #include "config.h"
18 #endif
19 
20 #include "abi_common.h"
21 
22 module m_out_acknowl
23 
24  use defs_basis
25  use m_abicore
26  use m_dtset
27 
28  use m_fstrings,     only : prep_char
29  use defs_datatypes, only : pspheader_type
30 
31  implicit none
32 
33  private

m_out_acknowl/out_acknowl [ Functions ]

[ Top ] [ m_out_acknowl ] [ Functions ]

NAME

 out_acknowl

FUNCTION

 Echo acknowledgments for the ABINIT code.

INPUTS

  iout=unit number for echoed output
  dtsets(0:ndtset_alloc)=<type datafiles_type>contains all input variables
  ndtset_alloc=number of datasets, corrected for allocation of at least
   one data set. Use for most dimensioned arrays.
  npsp=number of pseudopotentials
  pspheads(npsp)=<type pspheader_type>=all the important information from the
   pseudopotential file headers, as well as the psp file names

OUTPUT

  Only writing

SOURCE

 63 subroutine out_acknowl(dtsets,iout,ndtset_alloc,npsp,pspheads)
 64 
 65 !Arguments ------------------------------------
 66 !scalars
 67  integer,intent(in) :: iout,npsp,ndtset_alloc
 68  type(pspheader_type),intent(in) :: pspheads(npsp)
 69 !arrays
 70  type(dataset_type),intent(in) :: dtsets(0:ndtset_alloc)
 71 
 72 !Local variables-------------------------------
 73  integer :: idtset,iprior,iref,ncited,nrefs,ipsp,print_optional
 74  integer, allocatable :: cite(:),priority(:)
 75  character(len=750), allocatable :: ref(:)
 76  character(len=600), allocatable :: comment(:)
 77  character(len=600+750) :: string
 78 
 79 ! *************************************************************************
 80 
 81 !Allocate and initialize, for each possible reference, the flag for citation,
 82 !the priority of the citation, the reference, and the comment.
 83  nrefs=45
 84  ABI_MALLOC(cite,(nrefs))
 85  ABI_MALLOC(ref,(nrefs))
 86  ABI_MALLOC(comment,(nrefs))
 87 
 88 !Array to specify the priority
 89  ABI_MALLOC(priority,(nrefs))
 90 !The highest, the best, except that one from -1 and -2 should be cited.
 91 !0 means, cite if there are less than five papers total, otherwise forget, and any case, mention that it is optional.
 92 !1-19 means specific papers, that must be cited. However, they might not appear in the top list of papers.
 93 !20 means papers that should appear in the top list (usually, the most specific papers).
 94 
 95  ref(:)=' '
 96  comment(:)=' '
 97  cite(:)=0
 98  priority(:)=0
 99 
100  ref(1)=' The Abinit project: Impact, environment and recent developments.'//ch10//&
101    ' Computer Phys. Comm. 248, 107042 (2020).'//ch10//&
102    ' X.Gonze, B. Amadon, G. Antonius, F.Arnardi, L.Baguet, J.-M.Beuken,'//ch10//&
103    ' J.Bieder, F.Bottin, J.Bouchet, E.Bousquet, N.Brouwer, F.Bruneval,'//ch10//&
104    ' G.Brunin, T.Cavignac, J.-B. Charraud, Wei Chen, M.Cote, S.Cottenier,'//ch10//&
105    ' J.Denier, G.Geneste, Ph.Ghosez, M.Giantomassi, Y.Gillet, O.Gingras,'//ch10
106  ref(1)=trim(ref(1))//&
107    ' D.R.Hamann, G.Hautier, Xu He, N.Helbig, N.Holzwarth, Y.Jia, F.Jollet,'//ch10//&
108    ' W.Lafargue-Dit-Hauret, K.Lejaeghere, M.A.L.Marques, A.Martin, C.Martins,'//ch10//&
109    ' H.P.C. Miranda, F.Naccarato, K. Persson, G.Petretto, V.Planes, Y.Pouillon,'//ch10//&
110    ' S.Prokhorenko, F.Ricci, G.-M.Rignanese, A.H.Romero, M.M.Schmitt, M.Torrent,'//ch10//&
111    ' M.J.van Setten, B.Van Troeye, M.J.Verstraete, G.Zerah and J.W.Zwanziger.'
112  comment(1)=' Comment: the fifth generic paper describing the ABINIT project.'//ch10//&
113    ' Note that a version of this paper, that is not formatted for Computer Phys. Comm. '//ch10//&
114    ' is available at https://www.abinit.org/sites/default/files/ABINIT20.pdf .'//ch10//&
115    ' The licence allows the authors to put it on the Web.'//ch10//&
116    ' DOI and bibtex: see https://docs.abinit.org/theory/bibliography/#gonze2020'
117  priority(1)=3
118 
119  ref(2)=' ABINIT: Overview, and focus on selected capabilities'//ch10//&
120    ' J. Chem. Phys. 152, 124102 (2020).'//ch10//&
121    ' A. Romero, D.C. Allan, B. Amadon, G. Antonius, T. Applencourt, L.Baguet,'//ch10//&
122    ' J.Bieder, F.Bottin, J.Bouchet, E.Bousquet, F.Bruneval,'//ch10//&
123    ' G.Brunin, D.Caliste, M.Cote,'//ch10//&
124    ' J.Denier, C. Dreyer, Ph.Ghosez, M.Giantomassi, Y.Gillet, O.Gingras,'//ch10
125  ref(2)=trim(ref(2))//&
126    ' D.R.Hamann, G.Hautier, F.Jollet, G. Jomard,'//ch10//&
127    ' A.Martin, '//ch10//&
128    ' H.P.C. Miranda, F.Naccarato, G.Petretto, N.A. Pike, V.Planes,'//ch10//&
129    ' S.Prokhorenko, T. Rangel, F.Ricci, G.-M.Rignanese, M.Royo, M.Stengel, M.Torrent,'//ch10//&
130    ' M.J.van Setten, B.Van Troeye, M.J.Verstraete, J.Wiktor, J.W.Zwanziger, and X.Gonze.'
131  comment(2)=' Comment: a global overview of ABINIT, with focus on selected capabilities .'//ch10//&
132    ' Note that a version of this paper, that is not formatted for J. Chem. Phys '//ch10//&
133    ' is available at https://www.abinit.org/sites/default/files/ABINIT20_JPC.pdf .'//ch10//&
134    ' The licence allows the authors to put it on the Web.'//ch10//&
135    ' DOI and bibtex: see https://docs.abinit.org/theory/bibliography/#romero2020'
136  priority(2)=2
137 
138 
139  ref(3)=' Recent developments in the ABINIT software package.'//ch10//&
140    ' Computer Phys. Comm. 205, 106 (2016).'//ch10//&
141    ' X.Gonze, F.Jollet, F.Abreu Araujo, D.Adams, B.Amadon, T.Applencourt,'//ch10//&
142    ' C.Audouze, J.-M.Beuken, J.Bieder, A.Bokhanchuk, E.Bousquet, F.Bruneval'//ch10//&
143    ' D.Caliste, M.Cote, F.Dahm, F.Da Pieve, M.Delaveau, M.Di Gennaro,'//ch10//&
144    ' B.Dorado, C.Espejo, G.Geneste, L.Genovese, A.Gerossier, M.Giantomassi,'//ch10//&
145    ' Y.Gillet, D.R.Hamann, L.He, G.Jomard, J.Laflamme Janssen, S.Le Roux,'//ch10//&
146    ' A.Levitt, A.Lherbier, F.Liu, I.Lukacevic, A.Martin, C.Martins,'//ch10
147  ref(3)=trim(ref(3))//&
148    ' M.J.T.Oliveira, S.Ponce, Y.Pouillon, T.Rangel, G.-M.Rignanese,'//ch10//&
149    ' A.H.Romero, B.Rousseau, O.Rubel, A.A.Shukri, M.Stankovski, M.Torrent,'//ch10//&
150    ' M.J.Van Setten, B.Van Troeye, M.J.Verstraete, D.Waroquier, J.Wiktor,'//ch10//&
151    ' B.Xu, A.Zhou, J.W.Zwanziger.'
152  comment(3)=' Comment: the fourth generic paper describing the ABINIT project.'//ch10//&
153    ' Note that a version of this paper, that is not formatted for Computer Phys. Comm. '//ch10//&
154    ' is available at https://www.abinit.org/sites/default/files/ABINIT16.pdf .'//ch10//&
155    ' The licence allows the authors to put it on the Web.'//ch10//&
156    ' DOI and bibtex: see https://docs.abinit.org/theory/bibliography/#gonze2016'
157  priority(3)=1
158 
159  ref(4)=' ABINIT: First-principles approach of materials and nanosystem properties.'//ch10//&
160    ' Computer Phys. Comm. 180, 2582-2615 (2009).'//ch10//&
161    ' X. Gonze, B. Amadon, P.-M. Anglade, J.-M. Beuken, F. Bottin, P. Boulanger, F. Bruneval,'//ch10//&
162    ' D. Caliste, R. Caracas, M. Cote, T. Deutsch, L. Genovese, Ph. Ghosez, M. Giantomassi'//ch10//&
163    ' S. Goedecker, D.R. Hamann, P. Hermet, F. Jollet, G. Jomard, S. Leroux, M. Mancini, S. Mazevet,'//ch10//&
164    ' M.J.T. Oliveira, G. Onida, Y. Pouillon, T. Rangel, G.-M. Rignanese, D. Sangalli, R. Shaltaf,'//ch10//&
165    ' M. Torrent, M.J. Verstraete, G. Zerah, J.W. Zwanziger'
166  comment(4)=' Comment: the third generic paper describing the ABINIT project.'//ch10//&
167    ' Note that a version of this paper, that is not formatted for Computer Phys. Comm. '//ch10//&
168    ' is available at https://www.abinit.org/sites/default/files/ABINIT_CPC_v10.pdf .'//ch10//&
169    ' The licence allows the authors to put it on the Web.'//ch10//&
170    ' DOI and bibtex: see https://docs.abinit.org/theory/bibliography/#gonze2009'
171  priority(4)=0
172 
173  ref(5)=' A brief introduction to the ABINIT software package.'//ch10//&
174    ' Z. Kristallogr. 220, 558-562 (2005).'//ch10//&
175    ' X. Gonze, G.-M. Rignanese, M. Verstraete, J.-M. Beuken, Y. Pouillon, R. Caracas, F. Jollet,'//ch10//&
176    ' M. Torrent, G. Zerah, M. Mikami, Ph. Ghosez, M. Veithen, J.-Y. Raty, V. Olevano, F. Bruneval,'//ch10//&
177    ' L. Reining, R. Godby, G. Onida, D.R. Hamann, and D.C. Allan.'
178  comment(5)=' Comment: the second generic paper describing the ABINIT project. Note that this paper'//ch10//&
179    ' should be cited especially if you are using the GW part of ABINIT, as several authors'//ch10//&
180    ' of this part are not in the list of authors of the first or third paper.'//ch10//&
181    ' The .pdf of the latter paper is available at https://www.abinit.org/sites/default/files/zfk_0505-06_558-562.pdf.'//ch10//&
182    ' Note that it should not redistributed (Copyright by Oldenburg Wissenschaftverlag,'//ch10//&
183    ' the licence allows the authors to put it on the Web).'//ch10//&
184    ' DOI and bibtex: see https://docs.abinit.org/theory/bibliography/#gonze2005'
185  priority(5)=0
186 
187  ref(6)=' First-principles computation of material properties: the ABINIT software project. '//ch10//&
188    ' X. Gonze, J.-M. Beuken, R. Caracas, F. Detraux, M. Fuchs, G.-M. Rignanese, L. Sindic,'//ch10//&
189    ' M. Verstraete, G. Zerah, F. Jollet, M. Torrent, A. Roy, M. Mikami, Ph. Ghosez, J.-Y. Raty, D.C. Allan.'//ch10//&
190    ' Computational Materials Science 25, 478-492 (2002). http://dx.doi.org/10.1016/S0927-0256(02)00325-7'
191  comment(6)=' Comment: the original paper describing the ABINIT project.'//ch10//&
192    ' DOI and bibtex : see https://docs.abinit.org/theory/bibliography/#gonze2002'
193  priority(6)=0
194 
195  ref(7)=' First-principles responses of solids to atomic displacements and homogeneous electric fields:,'//ch10//&
196   ' implementation of a conjugate-gradient algorithm. X. Gonze, Phys. Rev. B55, 10337 (1997).'
197  comment(7)=' Comment: Non-vanishing rfphon and/or rfelfd, in the norm-conserving case.'//ch10//&
198   ' DOI and bibtex: see https://docs.abinit.org/theory/bibliography/#gonze1997'
199  priority(7)=3
200 
201  ref(8)=' Dynamical matrices, Born effective charges, dielectric permittivity tensors, and ,'//ch10//&
202   ' interatomic force constants from density-functional perturbation theory,'//ch10//&
203   ' X. Gonze and C. Lee, Phys. Rev. B55, 10355 (1997).'
204  comment(8)=' Comment: Non-vanishing rfphon and/or rfelfd, in the norm-conserving case.'//ch10//&
205   ' DOI and bibtex: see https://docs.abinit.org/theory/bibliography/#gonze1997a'
206  priority(8)=3
207 
208  ref(9)=' Metric tensor formulation of strain in density-functional perturbation theory, '//ch10//&
209   ' D. R. Hamann, X. Wu, K. M. Rabe, and D. Vanderbilt, Phys. Rev. B71, 035117 (2005).'
210  comment(9)=' Comment: Non-vanishing rfstrs. Strong suggestion to cite this paper in your publications.'//ch10//&
211   ' DOI and bibtex: see https://docs.abinit.org/theory/bibliography/#hamann2005'
212  priority(9)=18
213 
214  ref(10)=' Nonlinear optical susceptibilities, Raman efficiencies, and electrooptic tensors'//ch10//&
215   ' from first principles density functional theory.'//ch10//&
216   ' M. Veithen, X. Gonze, and Ph. Ghosez, Phys. Rev. B 71, 125107 (2005).'
217  comment(10)=' Comment: to be cited for non-linear response calculations, with optdriver=5.'//ch10//&
218   ' DOI and bibtex: see https://docs.abinit.org/theory/bibliography/#veithen2005'
219  priority(10)=20
220 
221  ref(11)=' Effect of self-consistency on quasiparticles in solids'//ch10//&
222   ' F. Bruneval, N. Vast, L. Reining, Phys. Rev. B 74, 045102 (2006).'
223  comment(11)=' Comment: in case gwcalctyp >= 10.'//ch10//&
224   ' DOI and bibtex: see https://docs.abinit.org/theory/bibliography/#bruneval2006'
225  priority(11)=18
226 
227  ref(12)=' Accurate GW self-energies in a plane-wave basis using only a few empty states:'//ch10//&
228   ' towards large systems. F. Bruneval, X. Gonze, Phys. Rev. B 78, 085125 (2008).'
229  comment(12)=' Comment: to be cited for non-vanishing gwcomp. Strong suggestion to cite this paper in your publications.'//ch10//&
230   ' DOI and bibtex: see https://docs.abinit.org/theory/bibliography/#bruneval2008'
231  priority(12)=20
232 
233  ref(13)=' Large scale ab initio calculations based on three levels of parallelization'//ch10//&
234   ' F. Bottin, S. Leroux, A. Knyazev, G. Zerah, Comput. Mat. Science 42, 329, (2008).'
235  comment(13)=' Comment: in case LOBPCG algorithm is used (wfoptalg=4/14/114).'//ch10//&
236   ' Strong suggestion to cite this paper in your publications.'//ch10//&
237   ' This paper is also available at http://www.arxiv.org/abs/0707.3405'//ch10//&
238   ' DOI and bibtex: see https://docs.abinit.org/theory/bibliography/#bottin2008'
239  priority(13)=10
240 
241  ref(14)=' Implementation of the Projector Augmented-Wave Method in the ABINIT code.'//ch10//&
242   ' M. Torrent, F. Jollet, F. Bottin, G. Zerah, and X. Gonze Comput. Mat. Science 42, 337, (2008).'
243  comment(14)=' Comment: PAW calculations. Strong suggestion to cite this paper.'//ch10//&
244   ' DOI and bibtex: see https://docs.abinit.org/theory/bibliography/#torrent2008'
245  priority(14)=15
246 
247  ref(15)=' Gamma and beta cerium: DFT+U calculations of ground-state parameters.'//ch10//&
248   ' B. Amadon, F. Jollet and M. Torrent, Phys. Rev. B 77, 155104 (2008).'
249  comment(15)=' Comment: DFT+U calculations, usepawu/=0. Strong suggestion to cite this paper.'//ch10//&
250   ' DOI and bibtex: see https://docs.abinit.org/theory/bibliography/#amadon2008a'
251  priority(15)=18
252 
253  ref(16)=' Preconditioning of self-consistent-field cycles in density functional theory: the extrapolar method'//ch10//&
254   ' P.-M. Anglade, X. Gonze, Phys. Rev. B 78, 045126 (2008).'
255  comment(16)=' Comment: to be cited in case the extrapolar conditioner is used, i.e. non-vanishing iprcel.'//ch10//&
256   ' DOI and bibtex: see https://docs.abinit.org/theory/bibliography/#anglade2008'
257  priority(16)=10
258 
259  ref(17)=' Specification of an extensible and portable file format for electronic structure and crystallographic data'//ch10//&
260   ' X. Gonze, C.-O. Almbladh, A. Cucca, D. Caliste, C. Freysoldt, M. Marques, V. Olevano, Y. Pouillon, M.J. Verstraete,'//ch10//&
261   ' Comput. Material Science 43, 1056 (2008).'
262  comment(17)=' Comment: to be cited in case the ETSF_IO file format is used, i.e. iomode=3.'//ch10//&
263   ' DOI and bibtex: see https://docs.abinit.org/theory/bibliography/#gonze2008'
264  priority(17)=20
265 
266  ref(18)=' Daubechies wavelets as a basis set for density functional pseudopotential calculations.'//ch10//&
267   ' L. Genovese, A. Neelov, S. Goedecker, T. Deutsch, S.A. Ghasemi, A. Willand,'// &
268   ' D. Caliste, O. Zilberberg, M. Rayson, A. Bergman et R. Schneider,'//ch10//&
269   ' J. Chem. Phys. 129, 014109 (2008).'
270  comment(18)=' Comment: to be cited in case BigDFT project is used, i.e. usewvl=1.'//ch10//&
271   ' DOI and bibtex: see https://docs.abinit.org/theory/bibliography/#genovese2008'
272  priority(18)=5
273 
274  ref(19)=' Calculations of the transport properties within the PAW formalism.'//ch10//&
275   ' S. Mazevet, M. Torrent, V. Recoules, F. Jollet,'// &
276   ' High Energy Density Physics, 6, 84-88 (2010).'
277  comment(19)=' Comment: to be cited in case output for transport properties calculation within PAW is used,'//ch10//&
278   '           i.e. prtnabla>0 and usepaw=1.'//ch10//&
279   ' DOI and bibtex: see https://docs.abinit.org/theory/bibliography/#genovese2008'
280  priority(19)=20
281 
282  ref(20)=' Plane-wave based electronic structure calculations for correlated materials.'//ch10//&
283   ' using dynamical mean-field theory and projected local orbitals,'//ch10// &
284   ' B. Amadon, F. Lechermann, A. Georges, F. Jollet, T.O. Wehling, A.I. Lichenstein,'//ch10// &
285   ' Phys. Rev. B 77, 205112 (2008).'
286  comment(20)=' Comment: to be cited in case the computation of overlap operator'// &
287    ' for Wannier90 interface within PAW is used,'//ch10//&
288    ' i.e. prtwant=2 and usepaw=1. The paper describes also the DFT+DMFT implementation on Wannier functions'//ch10//&
289    ' DOI and bibtex: see https://docs.abinit.org/theory/bibliography/#amadon2008'
290  priority(20)=19
291 
292  ref(21)=' First-principles calculation of electric field gradients in metals, semiconductors, and insulators.'//ch10//&
293   ' J.W. Zwanziger, M. Torrent,'// &
294   ' Applied Magnetic Resonance 33, 447-456 (2008).'
295  comment(21)=&
296   ' Comment: to be cited in case the computation of electric field gradient is used, i.e. nucefg>0 and usepaw=1.'//ch10//&
297   ' DOI and bibtex: see https://docs.abinit.org/theory/bibliography/#zwanziger2008'
298  priority(21)=20
299 
300  ref(22)=' Computation of Moessbauer isomer shifts from first principles.'//ch10//&
301   ' J.W. Zwanziger, '// &
302   ' J. Phys. Conden. Matt. 21, 15024-15036 (2009).'
303  comment(22)=' Comment: to be cited in case the computation of Fermi contact'// &
304   ' interactions for isomer shifts, i.e. nucfc=1 and usepaw=1.'//ch10//&
305   ' DOI and bibtex: see https://docs.abinit.org/theory/bibliography/#zwanziger2009'
306  priority(22)=20
307 
308  ref(23)=' Projector augmented-wave approach to density-functional perturbation theory.'//ch10//&
309   ' C. Audouze, F. Jollet, M. Torrent and X. Gonze,'// &
310   ' Phys. Rev. B 73, 235101 (2006).'//ch10// &
311   ' Comparison between projector augmented-wave and ultrasoft pseudopotential formalisms'//ch10//&
312   ' at the density-functional perturbation theory level.'//ch10//&
313   ' C. Audouze, F. Jollet, M. Torrent and X. Gonze,'// &
314   ' Phys. Rev. B 78, 035105 (2008).'
315  comment(23)=' Comment: to be cited in case the computation of response function'// &
316   ' with PAW, i.e. (rfphon=1 or rfelfd=1) and usepaw=1.'//ch10// &
317   ' Strong suggestion to cite these papers.'//ch10//&
318   ' DOI and bibtex: see https://docs.abinit.org/theory/bibliography/#audouze2006,'//ch10//&
319   ' and https://docs.abinit.org/theory/bibliography/#audouze2008'
320  priority(23)=16
321 
322  ref(24)=' Libxc: A library of exchange and correlation functionals for density functional theory.'//ch10//&
323   ' M.A.L. Marques, M.J.T. Oliveira, T. Burnus,'// &
324   ' Computer Physics Communications 183, 2227 (2012).'
325  comment(24)=' Comment: to be cited when LibXC is used (negative value of ixc)'//ch10// &
326   ' Strong suggestion to cite this paper.'//ch10//&
327   ' DOI and bibtex: see https://docs.abinit.org/theory/bibliography/#marques2012'
328  priority(24)=12
329 
330  ref(25)=' A self-consistent DFT + DMFT scheme in the projector augmented wave method: '//ch10//&
331   ' applications to cerium, Ce2O3 and Pu2O3 with the Hubbard I solver and comparison to DFT + U,'//ch10//&
332   ' B. Amadon,'// &
333   '  J. Phys.: Condens. Matter 24 075604 (2012).'
334  comment(25)=' Comment : Describes the self-consistent implementation of DFT+DMFT in PAW'//ch10//&
335   ' DOI and bibtex: see https://docs.abinit.org/theory/bibliography/#amadon2012'
336  priority(25)=20
337 
338  ref(26)=' Screened Coulomb interaction calculations: cRPA implementation and applications '//ch10//&
339   ' to dynamical screening and self-consistency in uranium dioxide and cerium'//ch10// &
340   ' B. Amadon, T. Applencourt and F. Bruneval '// &
341   ' Phys. Rev. B 89, 125110 (2014).'
342  comment(26)=' Comment: Describes the cRPA implementation of the screened Coulomb interaction in PAW'//ch10//&
343   ' DOI and bibtex: see https://docs.abinit.org/theory/bibliography/#amadon2014'
344  priority(26)=20
345 
346  ref(27)= ' Optimized norm-conserving Vanderbilt pseudopotentials.'//ch10//&
347   ' D.R. Hamann, Phys. Rev. B 88, 085117 (2013).'
348  comment(27)=' Comment: Some pseudopotential generated using the ONCVPSP code were used.'//ch10//&
349   ' DOI and bibtex: see https://docs.abinit.org/theory/bibliography/#hamann2013'
350  priority(27)=3
351 
352  ref(28)= ' Two-component density functional theory within the projector augmented-wave approach:'//ch10//&
353   ' Accurate and self-consistent computations of positron lifetimes and momentum distributions'//ch10//&
354   ' J. Wiktor, G. Jomard and M. Torrent, Phys. Rev. B 92, 125113 (2015).'
355  comment(28)=' Comment: to be cited in case the computation of electron-positron'// &
356   ' annihilation properties within the 2-component DFT, i.e. positron/=0.'//ch10// &
357   ' Strong suggestion to cite this paper.'//ch10//&
358   ' DOI and bibtex: see https://docs.abinit.org/theory/bibliography/#wiktor2015'
359  priority(28)=20
360 
361  ref(29)= ' Parallel eigensolvers in plane-wave Density Functional Theory'//ch10//&
362   ' A. Levitt and M. Torrent, Computer Phys. Comm. 187, 98-105 (2015).'
363  comment(29)=' Comment: in case Chebyshev Filtering algorithm is used (wfoptalg=1/111).'//ch10//&
364   ' Strong suggestion to cite this paper in your publications.'//ch10//&
365   ' DOI and bibtex: see https://docs.abinit.org/theory/bibliography/#levitt2015'
366  priority(29)=16
367 
368  ref(30)= ' Interatomic force constants including the DFT-D dispersion contribution'//ch10//&
369   ' B. Van Troeye, M. Torrent, and X. Gonze. Phys. Rev. B93, 144304 (2016)'
370  comment(30)=' Comment: in case one of the Van der Waals DFT-D functionals are used with DFPT (dynamical matrices).'//ch10//&
371   ' Strong suggestion to cite this paper in your publications.'//ch10//&
372   ' DOI and bibtex: see https://docs.abinit.org/theory/bibliography/#vantroeye2016'
373  priority(30)=20
374 
375  ref(31)= ' Efficient on-the-fly interpolation technique for Bethe-Salpeter calculations of optical spectra'//ch10//&
376   ' Y. Gillet, M. Giantomassi, and X. Gonze. Computer Physics Communications 203, 83 (2016)'
377  comment(31)=' Comment: in case an interpolation technique is combined with Haydock recursion.'//ch10//&
378   ' Strong suggestion to cite this paper in your publications.'//ch10//&
379   ' DOI and bibtex: see https://docs.abinit.org/theory/bibliography/#gillet2016'
380  priority(31)=20
381 
382  ref(32)= ' Precise effective masses from density functional perturbation theory'//ch10//&
383   ' J. Laflamme Janssen, Y. Gillet, S. Ponce, A. Martin, M. Torrent, and X. Gonze. Phys. Rev. B 93, 205147 (2016)'
384  comment(32)=' Comment: in case the DFPT prediction of effective masses is used.'//ch10//&
385   ' Strong suggestion to cite this paper in your publications.'//ch10//&
386   ' DOI and bibtex: see https://docs.abinit.org/theory/bibliography/#laflamme2016'
387  priority(32)=20
388 
389  ref(33)= ' Efficient dielectric matrix calculations using the Lanczos algorithm for fast many-body G0W0 implementations'//ch10//&
390   ' J. Laflamme Janssen, B. Rousseau and M. Cote. Phys. Rev. B 91, 125120 (2015)'
391  comment(33)=' Comment: in case the Lanczos-Sternheimer approach to GW is used.'//ch10//&
392   ' Strong suggestion to cite this paper in your publications.'//ch10//&
393   ' DOI and bibtex: see https://docs.abinit.org/theory/bibliography/#laflamme2015'
394  priority(33)=20
395 
396  ref(34)= ' Verification of first-principles codes: Comparison of total energies, phonon frequencies,'//ch10//&
397   ' electron--phonon coupling and zero-point motion correction to the gap between ABINIT and QE/Yambo'//ch10//&
398   ' S. Ponce, G. Antonius, P. Boulanger, E. Cannuccia, A. Marini, M. Cote and X. Gonze.'//&
399   ' Computational Material Science 83, 341 (2014)'
400  comment(34)=&
401   ' Comment: the temperature-dependence of the electronic structure is computed (or the zero-point renormalisation).'//ch10//&
402   ' Strong suggestion to cite this paper in your publications.'//ch10//&
403   ' DOI and bibtex : see https://docs.abinit.org/theory/bibliography/#ponce2014'
404  priority(34)=20
405 
406  ref(35)= ' Temperature dependence of the electronic structure of semiconductors and insulators '//ch10//&
407   ' S. Ponce, Y. Gillet, J. Laflamme Janssen, A. Marini, M. Verstraete and X. Gonze. J. Chem. Phys. 143, 102813 (2015)'
408  comment(35)=&
409   ' Comment: the temperature-dependence of the electronic structure is computed (or the zero-point renormalisation).'//ch10//&
410   ' Strong suggestion to cite this paper in your publications.'//ch10//&
411   ' DOI and bibtex: see https://docs.abinit.org/theory/bibliography/#ponce2015'
412  priority(35)=20
413 
414  ref(36)= ' Accurate band gaps of extended systems via efficient vertex corrections in GW '//ch10//&
415   ' Wei Chen and A. Pasquarello. Phys. Rev. B 92, 041115 (2015)'
416  comment(36)=' Comment: in case the bootstrap kernel (gwgamma -4) is used in GW calculations.'//ch10//&
417   ' Strong suggestion to cite this paper in your publications.'//ch10//&
418   ' DOI and bibtex: see https://docs.abinit.org/theory/bibliography/#chen2015'
419  priority(36)=20
420 
421  ref(37)= ' Projector augmented-wave formulation of response to strain and electric-field perturbation '//ch10//&
422   ' within density functional perturbation theory '//ch10//&
423   ' A. Martin, M. Torrent, and R. Caracas. Phys. Rev. B 99, 094112 (2019)'
424  comment(37)=' Comment: in case Elastic constants, Born Effective charges, piezoelectric tensor '//ch10//&
425   ' are computed within the Projector Augmented-Wave (PAW) approach. '//ch10//&
426   ' Strong suggestion to cite this paper in your publications.'//ch10//&
427   ' DOI and bibtex: see https://docs.abinit.org/theory/bibliography/#martin2019'
428  priority(37)=20
429 
430  ref(38)=' Towards a potential-based conjugate gradient algorithm for order-N self-consistent'//ch10//&
431    ' total energy calculations.'//ch10//&
432    ' X. Gonze, Phys. Rev. B 54, 4383 (1996).'
433  comment(38)=' Comment: The potential-based conjugate-gradient algorithm, used when iscf=5, is not published.'//ch10//&
434   ' However, many elements of this algorithm have been explained in the paper above.'//ch10//&
435   ' DOI and bibtex: see https://docs.abinit.org/theory/bibliography/#gonze1996'
436  priority(38)=0
437 
438  ref(39)=' Ab initio pseudopotentials for electronic structure calculations of poly-atomic systems, '//ch10//&
439   ' using density-functional theory.'//ch10//&
440   ' M. Fuchs and, M. Scheffler, Comput. Phys. Commun. 119, 67 (1999).'
441  comment(39)=' Comment: Some pseudopotential generated using the FHI code were used.'//ch10//&
442   ' DOI and bibtex: see https://docs.abinit.org/theory/bibliography/#fuchs1999'
443  priority(39)=3
444 
445  ref(40)=' First-Principles Theory of Spatial Dispersion: Dynamical Quadrupoles and Flexoelectricity, '//ch10//&
446   ' M. Royo and M. Stengel, Phys. Rev. X 9, 021050 (2019).'
447  comment(40)=' Comment : Flexoelectricity (see lw_flexo) or dynamical quadrupoles (see lw_qdrpl) have been computed.'//ch10//&
448   ' DOI and bibtex: see https://docs.abinit.org/theory/bibliography/#royo2019'
449  priority(40)=20
450 
451  ref(41)=' Phonon-limited electron mobility in Si, GaAs, and GaP with exact treatment of dynamical quadrupoles, '//ch10//&
452   ' G. Brunin, H. P. C. Miranda, M. Giantomassi, M. Royo, M. Stengel, M. J. Verstraete,'//ch10//&
453   ' X. Gonze, G.-M. Rignanese and G. Hautier, Phys. Rev. B 102, 094308 (2020).'
454  comment(41)=' Comment : Phonon-limited electron mobility has been computed using eph_task=7.'//ch10//&
455   ' DOI and bibtex: see https://docs.abinit.org/theory/bibliography/#brunin2020b'
456  priority(41)=20
457 
458  ref(42)=' Predominance of non-adiabatic effects in zero-point renormalization of the electronic band gap,  '//ch10//&
459   ' A. Miglio, V. Brousseau-Couture, E. Godbout, G. Antonius, Y.-H. Chan, S.G. Louie,  M. Cote, M. Giantomassi'//ch10//&
460   ' and X. Gonze, npj Computational Materials 6, 167 (2020).'
461  comment(42)=' Comment : Generalized Frohlich model calculations using eph_task=6.'//ch10//&
462   ' DOI and bibtex: see https://docs.abinit.org/theory/bibliography/#miglio2020'
463  priority(42)=20
464 
465  ref(43)=' Photoinduced Phase Transitions in Ferroelectrics, '//ch10//&
466   ' C. Paillard, E. Torun, L. Wirtz, J. Iniguez and L. Bellaiche, Phys. Rev. Lett. 123, 087601 (2019).'
467  comment(43)=' Comment : Thermalized carriers eph_task=6.'//ch10//&
468   ' DOI and bibtex: see https://docs.abinit.org/theory/bibliography/#paillard2019'
469  priority(43)=20
470 
471  ref(44)= ' Calculation of optical properties with spin-orbit coupling for warm dense matter'//ch10//&
472   ' N. Brouwer and V. Recoules and N. Holzwarth and M. Torrent, Computer Phys. Comm. 266, 108029 (2021).'
473  comment(44)=' Comment: Transport properties including spin-orbit coupling'//ch10//&
474   ' within the PAW approach (prtnabla>0 and pawspnorb>0).'//ch10//&
475   ' Strong suggestion to cite this paper in your publications.'//ch10//&
476   ' DOI and bibtex: see https://docs.abinit.org/theory/bibliography/#brouwer2021'
477  priority(44)=20
478 
479  ref(45)=' Orbital magnetism and chemical shielding in the projector augmented-wave formalism.'//ch10//&
480   ' J.W. Zwanziger, M. Torrent, and X. Gonze'// &
481   ' Phys. Rev. B 107, 165157 (2023).'
482  comment(45)=&
483   ' Comment: to be cited in case the computation of orbital magnetism is used, i.e. orbmag>0.'//ch10//&
484   ' DOI and bibtex: see https://docs.abinit.org/theory/bibliography/#zwanziger2023'
485  priority(45)=20
486 
487 !---------------------------------------------------------------------------------------------
488 !Determine the papers to be cited
489 
490 !Generic papers, not subject to conditions for citations
491  cite(1:4)=1
492 
493 !Go through the datasets
494  do idtset=1,ndtset_alloc
495 
496 !  If iscf=5 or iscf=15 used, cite Gonze96
497    if(dtsets(idtset)%iscf==5)cite(6)=1
498    if(dtsets(idtset)%iscf==15)cite(6)=1
499 
500 !  If rfphon/=0 or rfelfd/=0, cite Gonze97a
501    if(dtsets(idtset)%rfphon/=0)cite(7)=1
502    if(dtsets(idtset)%rfelfd/=0)cite(7)=1
503 
504 !  If rfphon/=0 or rfelfd/=0, cite Gonze97b
505    if(dtsets(idtset)%rfphon/=0)cite(8)=1
506    if(dtsets(idtset)%rfelfd/=0)cite(8)=1
507 
508 !  If rfstrs/=0, cite Hamann05
509    if(dtsets(idtset)%rfstrs/=0)cite(9)=1
510 
511 !  If optdriver==5, cite Veithen2005
512    if(dtsets(idtset)%optdriver==5)cite(10)=1
513 
514 !  If gwcalctyp>=10, cite Bruneval2006
515    if(dtsets(idtset)%gwcalctyp>=10)cite(11)=1
516 
517 !  If gwcomp/=0, cite Bruneval2008
518    if(dtsets(idtset)%gwcomp/=0)cite(12)=1
519 
520 !  If paral_kgb/=0 and LOBPCG, cite Bottin2008
521    if(dtsets(idtset)%paral_kgb/=0.and. &
522 &    (dtsets(idtset)%wfoptalg==4.or.dtsets(idtset)%wfoptalg==14.or.dtsets(idtset)%wfoptalg==114))cite(13)=1
523 
524 !  If ucrpa/=0, cite Amadon2014
525    if(dtsets(idtset)%ucrpa/=0) cite(26)=1
526 
527 !  If usedmft/=0, cite Amadon2008b
528    if(dtsets(idtset)%usedmft/=0)cite(20)=1
529 
530 !  If usedmft/=0, cite Amadon2012
531    if(dtsets(idtset)%usedmft/=0.and.dtsets(idtset)%nbandkss==0)cite(25)=1
532 
533 !  If usepaw/=0, cite Torrent2008
534    if(dtsets(idtset)%usepaw/=0)cite(14)=1
535 
536 !  If usepawu/=0, cite Amadon2008
537    if(dtsets(idtset)%usepawu/=0.and.dtsets(idtset)%usedmft==0) cite(15)=1
538 
539 !  If iprcel/=0, cite Anglade2008
540    if(dtsets(idtset)%iprcel/=0)cite(16)=1
541 
542 !  If iomode==IO_MODE_ETSF, cite Gonze2008
543    if(dtsets(idtset)%iomode==IO_MODE_ETSF)cite(17)=1
544 
545 !  If usewvl/=0, cite Genovese2008
546    if(dtsets(idtset)%usewvl/=0)cite(18)=1
547 
548 !  If prtnabla/=0, cite Mazevet2010
549    if(dtsets(idtset)%usepaw==1.and.dtsets(idtset)%prtnabla>0)cite(19)=1
550 
551 !  If prtnabla/=0, cite Amadon2008
552    if(dtsets(idtset)%usepaw==1.and.dtsets(idtset)%prtwant==2)cite(20)=1
553 
554 !  If nucefg/=0, cite Zwanziger2008
555    if(dtsets(idtset)%usepaw==1.and.dtsets(idtset)%nucefg>0)cite(21)=1
556 
557 !  If nucfc/=0, cite Zwanziger2009
558    if(dtsets(idtset)%usepaw==1.and.dtsets(idtset)%nucfc>0)cite(22)=1
559 
560 !  If optdriver==1 and usepaw==1, cite Audouze2006 and Audouze2008
561    if(dtsets(idtset)%usepaw==1.and.dtsets(idtset)%optdriver==1)cite(23)=1
562 
563 !  If ixc<0, cite Marques2012
564    if(dtsets(idtset)%ixc<0 .or. dtsets(idtset)%gwcalctyp>=100)cite(24)=1
565 
566 !  If positron/=0 + PAW, cite Wiktor2015
567    if(dtsets(idtset)%positron/=0.and.dtsets(idtset)%usepaw==1)cite(28)=1
568 
569 !  If Chebyshev filtering (wfoptalg=1/111), cite Levitt2015
570    if(dtsets(idtset)%wfoptalg==1.or.dtsets(idtset)%wfoptalg==111)cite(29)=1
571 
572 !  If vdw_xc==5, 6 or 7 and rfphon/=0 or rfstrs/=0, cite Van Troeye 2016
573    if(dtsets(idtset)%vdw_xc >=5 .and. dtsets(idtset)%vdw_xc <8)then
574      if(dtsets(idtset)%rfphon/=0)cite(30)=1
575      if(dtsets(idtset)%rfstrs/=0)cite(30)=1
576    end if
577 
578 !  If BSE interpolation is used, cite Gillet2016
579    if(dtsets(idtset)%bs_interp_mode/=0)cite(31)=1
580 
581 !  If effective mass tensor calculation is turned on, cite Laflamme2016
582    if(dtsets(idtset)%efmas/=0)cite(32)=1
583 
584 !  If Lanczos-Sternheimer GW is used, cite Laflamme2015
585    if(dtsets(idtset)%optdriver==RUNL_GWLS)cite(33)=1
586 
587 !  If electron-phonon effect on electronic structure is computed, cite Ponce2014 and Ponce 2015
588    if(dtsets(idtset)%ieig2rf/=0)cite(34)=1
589    if(dtsets(idtset)%ieig2rf/=0)cite(35)=1
590 
591 !  If bootstrap kernel is used with GW, cite Chen2015
592    if (any(dtsets(idtset)%gwgamma == [-3,-4,-5,-6])) cite(36)=1
593 
594 !  If rfstrs/=0 or rfelfd/=0 and PAW, cite Martin2019
595    if(dtsets(idtset)%rfstrs/=0.and.dtsets(idtset)%usepaw==1) cite(37)=1
596    if(dtsets(idtset)%rfelfd/=0.and.dtsets(idtset)%usepaw==1) cite(37)=1
597 
598 !  If iscf=5 or iscf=15 used, cite Gonze96
599    if(dtsets(idtset)%iscf==5)cite(38)=1
600    if(dtsets(idtset)%iscf==15)cite(38)=1
601 
602 !  If lw_flexo/=0 or lw_qdrpl/=0, cite Royo2020
603    if(dtsets(idtset)%lw_flexo/=0)cite(40)=1
604    if(dtsets(idtset)%lw_qdrpl/=0)cite(40)=1
605 
606 !  If eph_task==7, cite Brunin2020b
607    if(dtsets(idtset)%eph_task==7 )cite(41)=1
608 
609 !  If eph_task==6, cite Miglio2020
610    if(dtsets(idtset)%eph_task==6 )cite(42)=1
611 
612 !  If occopt==9, cite Paillard2019
613    if(dtsets(idtset)%occopt==9 )cite(43)=1
614 
615 !  If prtnabla>0 and nspinor==, cite Brouwer2021
616    if(dtsets(idtset)%prtnabla>0.and.dtsets(idtset)%nspinor==2.and.dtsets(idtset)%pawspnorb>0 )cite(44)=1
617 
618  end do
619 
620 !Go through the pseudopotentials
621  do ipsp=1,npsp
622 
623 !  If FHI pseudopotential, cite Fuchs 1999
624    if(pspheads(ipsp)%pspcod==6)cite(39)=1
625 !  If psp8, cite Hamann 2013
626    if(pspheads(ipsp)%pspcod==8)cite(27)=1
627  end do
628 
629 !-------------------------------------------------------------------------------------------
630 !Assemble the acknowledgment notice
631 
632  write(iout, '(30a)' )ch10,&
633   '================================================================================',ch10,ch10,&
634   ' Suggested references for the acknowledgment of ABINIT usage.',ch10,ch10,&
635   ' The users of ABINIT have little formal obligations with respect to the ABINIT group',ch10,&
636   ' (those specified in the GNU General Public License, http://www.gnu.org/copyleft/gpl.txt).',ch10,&
637   ' However, it is common practice in the scientific literature,',ch10,&
638   ' to acknowledge the efforts of people that have made the research possible.',ch10,&
639   ' In this spirit, please find below suggested citations of work written by ABINIT developers,',ch10,&
640   ' corresponding to implementations inside of ABINIT that you have used in the present run.',ch10,&
641   ' Note also that it will be of great value to readers of publications presenting these results,',ch10,&
642   ' to read papers enabling them to understand the theoretical formalism and details',ch10,&
643   ' of the ABINIT implementation.',ch10,&
644   ' For information on why they are suggested, see also https://docs.abinit.org/theory/acknowledgments.'
645 
646  ncited=0
647  print_optional=1
648 
649  do iprior=20,0,-1
650    do iref=1,nrefs
651      if(cite(iref)==1)then
652        if(priority(iref)==iprior)then
653          if(priority(iref)>0 .or. (priority(iref)==1 .and. ncited<5) .or. (priority(iref)==0 .and. ncited<5)) then
654            ncited=ncited+1
655            cite(iref)=0
656            if(priority(iref)==0 .and. print_optional==1)then
657              print_optional=0
658              write(iout,'(3a)')"-",ch10,'- And optionally:'
659            end if
660            if(len_trim(comment(iref))/=0)then
661              write(string, '(2a,i0,4a)')ch10,' [',ncited,']',trim(ref(iref)),ch10,trim(comment(iref))
662              call wrtout(iout,trim(prep_char(string, "-")))
663            else
664              write(string, '(2a,i0,4a)')ch10,' [',ncited,']',trim(ref(iref))
665              call wrtout(iout,trim(prep_char(string, "-")))
666            end if
667          end if
668        end if
669        if(priority(iref)==0 .and. ncited>=5)cite(iref)=0
670      end if
671    end do
672  end do
673 
674 !Cleaning
675  ABI_FREE(cite)
676  ABI_FREE(ref)
677  ABI_FREE(comment)
678  ABI_FREE(priority)
679 
680 end subroutine out_acknowl