TABLE OF CONTENTS


ABINIT/m_out_acknowl [ Modules ]

[ Top ] [ Modules ]

NAME

  m_out_acknowl

FUNCTION

 Echo acknowledgments for the ABINIT code.

COPYRIGHT

  Copyright (C) 2008-2018 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 .

PARENTS

CHILDREN

SOURCE

21 #if defined HAVE_CONFIG_H
22 #include "config.h"
23 #endif
24 
25 #include "abi_common.h"
26 
27 module m_out_acknowl
28 
29  use defs_basis
30  use defs_datatypes
31  use defs_abitypes
32  use m_abicore
33 
34  use m_fstrings,     only : prep_dash
35 
36  implicit none
37 
38  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

PARENTS

      abinit

CHILDREN

      wrtout

SOURCE

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