
.Version 9.3.3 of ABINIT 
.(sequential version, prepared for a x86_64_linux_gnu9.3 computer) 

.Copyright (C) 1998-2021 ABINIT group . 
 ABINIT comes with ABSOLUTELY NO WARRANTY.
 It is free software, and you are welcome to redistribute it
 under certain conditions (GNU General Public License,
 see ~abinit/COPYING or http://www.gnu.org/copyleft/gpl.txt).

 ABINIT is a project of the Universite Catholique de Louvain,
 Corning Inc. and other collaborators, see ~abinit/doc/developers/contributors.txt .
 Please read https://docs.abinit.org/theory/acknowledgments for suggested
 acknowledgments of the ABINIT effort.
 For more information, see https://www.abinit.org .

.Starting date : Wed 30 Dec 2020.
- ( at 19h15 )
  
- input  file    -> /home/buildbot/ABINIT/alps_gnu_9.3_serial/trunk_beauty/tests/TestBot_MPI1/tutorial_tbase1_1/tbase1_1.abi
- output file    -> tbase1_1.abo
- root for input  files -> tbase1_1i
- root for output files -> tbase1_1o


 Symmetries : space group P4/m m m (#123); Bravais tP (primitive tetrag.)
================================================================================
 Values of the parameters that define the memory need of the present run
     intxc =       0    ionmov =       0      iscf =       7    lmnmax =       3
     lnmax =       3     mgfft =      30  mpssoang =       2    mqgrid =    3001
     natom =       2  nloc_mem =       1    nspden =       1   nspinor =       1
    nsppol =       1      nsym =      16    n1xccc =       0    ntypat =       1
    occopt =       1   xclevel =       1
-    mband =           2        mffmem =           1         mkmem =           1
       mpw =         752          nfft =       27000          nkpt =           1
================================================================================
P This job should need less than                       7.922 Mbytes of memory.
  Rough estimation (10% accuracy) of disk space for files :
_ WF disk file :      0.025 Mbytes ; DEN or POT disk file :      0.208 Mbytes.
================================================================================

--------------------------------------------------------------------------------
------------- Echo of variables that govern the present computation ------------
--------------------------------------------------------------------------------
-
- outvars: echo of selected default values                                      
-   iomode0 =  0 , fftalg0 =312 , wfoptalg0 =  0
-
- outvars: echo of global parameters not present in the input file              
-  max_nthreads =    0
-
 -outvars: echo values of preprocessed input variables --------
            acell      1.0000000000E+01  1.0000000000E+01  1.0000000000E+01 Bohr
              amu      1.00794000E+00
           diemac      2.00000000E+00
             ecut      1.00000000E+01 Hartree
-          fftalg         312
           istwfk        2
              ixc       -1012
           kptopt           0
P           mkmem           1
            natom           2
            nband           2
            ngfft          30      30      30
             nkpt           1
            nstep          10
             nsym          16
           ntypat           1
              occ      2.000000  0.000000
          spgroup         123
           symrel      1  0  0   0  1  0   0  0  1      -1  0  0   0 -1  0   0  0 -1
                      -1  0  0   0  1  0   0  0 -1       1  0  0   0 -1  0   0  0  1
                      -1  0  0   0 -1  0   0  0  1       1  0  0   0  1  0   0  0 -1
                       1  0  0   0 -1  0   0  0 -1      -1  0  0   0  1  0   0  0  1
                       1  0  0   0  0  1   0  1  0      -1  0  0   0  0 -1   0 -1  0
                      -1  0  0   0  0  1   0 -1  0       1  0  0   0  0 -1   0  1  0
                      -1  0  0   0  0 -1   0  1  0       1  0  0   0  0  1   0 -1  0
                       1  0  0   0  0 -1   0 -1  0      -1  0  0   0  0  1   0  1  0
           toldfe      1.00000000E-06 Hartree
            typat      1  1
           xangst     -3.7042404601E-01  0.0000000000E+00  0.0000000000E+00
                       3.7042404601E-01  0.0000000000E+00  0.0000000000E+00
            xcart     -7.0000000000E-01  0.0000000000E+00  0.0000000000E+00
                       7.0000000000E-01  0.0000000000E+00  0.0000000000E+00
             xred     -7.0000000000E-02  0.0000000000E+00  0.0000000000E+00
                       7.0000000000E-02  0.0000000000E+00  0.0000000000E+00
            znucl        1.00000

================================================================================

 chkinp: Checking input parameters for consistency.

================================================================================
== DATASET  1 ==================================================================
-   mpi_nproc: 1, omp_nthreads: -1 (-1 if OMP is not activated)


--- !DatasetInfo
iteration_state: {dtset: 1, }
dimensions: {natom: 2, nkpt: 1, mband: 2, nsppol: 1, nspinor: 1, nspden: 1, mpw: 752, }
cutoff_energies: {ecut:  10.0, pawecutdg:  -1.0, }
electrons: {nelect:   2.00000000E+00, charge:   0.00000000E+00, occopt:   1.00000000E+00, tsmear:   1.00000000E-02, }
meta: {optdriver: 0, ionmov: 0, optcell: 0, iscf: 7, paral_kgb: 0, }
...

 Real(R)+Recip(G) space primitive vectors, cartesian coordinates (Bohr,Bohr^-1):
 R(1)= 10.0000000  0.0000000  0.0000000  G(1)=  0.1000000  0.0000000  0.0000000
 R(2)=  0.0000000 10.0000000  0.0000000  G(2)=  0.0000000  0.1000000  0.0000000
 R(3)=  0.0000000  0.0000000 10.0000000  G(3)=  0.0000000  0.0000000  0.1000000
 Unit cell volume ucvol=  1.0000000E+03 bohr^3
 Angles (23,13,12)=  9.00000000E+01  9.00000000E+01  9.00000000E+01 degrees

 getcut: wavevector=  0.0000  0.0000  0.0000  ngfft=  30  30  30
         ecut(hartree)=     10.000   => boxcut(ratio)=   2.10744

--- Pseudopotential description ------------------------------------------------
- pspini: atom type   1  psp file is /home/buildbot/ABINIT/alps_gnu_9.3_serial/trunk_beauty/tests/Psps_for_tests/Pseudodojo_nc_sr_04_pw_standard_psp8/H.psp8
- pspatm: opening atomic psp file    /home/buildbot/ABINIT/alps_gnu_9.3_serial/trunk_beauty/tests/Psps_for_tests/Pseudodojo_nc_sr_04_pw_standard_psp8/H.psp8
- H     ONCVPSP-3.3.0  r_core=   1.00957   0.90680
-  1.00000   1.00000    171101                znucl, zion, pspdat
    8   -1012    1    4       300   0.00000   pspcod,pspxc,lmax,lloc,mmax,r2well
    2.99000000000000    0.00000000000000    0.00000000000000   rchrg,fchrg,qchrg
     nproj     2     1
     extension_switch     1
  pspatm : epsatm=    0.35491505
         --- l  ekb(1:nproj) -->
             0   -1.665338   -0.519510
             1   -0.275071
 pspatm: atomic psp has been read  and splines computed

   1.41966018E+00                                ecore*ucvol(ha*bohr**3)
--------------------------------------------------------------------------------

_setup2: Arith. and geom. avg. npw (full set) are    1503.000    1503.000

================================================================================

--- !BeginCycle
iteration_state: {dtset: 1, }
solver: {iscf: 7, nstep: 10, nline: 4, wfoptalg: 0, }
tolerances: {toldfe: 1.00E-06, }
...

     iter   Etot(hartree)      deltaE(h)  residm     vres2
 ETOT  1  -1.1093804698962    -1.109E+00 6.384E-04 1.736E+01
 ETOT  2  -1.1170431098364    -7.663E-03 7.449E-08 2.737E-01
 ETOT  3  -1.1171736936408    -1.306E-04 5.867E-06 6.992E-02
 ETOT  4  -1.1171842773283    -1.058E-05 8.862E-07 5.492E-04
 ETOT  5  -1.1171843458762    -6.855E-08 1.683E-09 1.404E-05
 ETOT  6  -1.1171843463443    -4.681E-10 2.580E-11 3.672E-07

 At SCF step    6, etot is converged : 
  for the second time, diff in etot=  4.681E-10 < toldfe=  1.000E-06

 Cartesian components of stress tensor (hartree/bohr^3)
  sigma(1 1)= -3.33791900E-06  sigma(3 2)=  0.00000000E+00
  sigma(2 2)=  3.45795063E-05  sigma(3 1)=  0.00000000E+00
  sigma(3 3)=  3.45795063E-05  sigma(2 1)=  0.00000000E+00


--- !ResultsGS
iteration_state: {dtset: 1, }
comment   : Summary of ground state results
lattice_vectors:
- [ 10.0000000,   0.0000000,   0.0000000, ]
- [  0.0000000,  10.0000000,   0.0000000, ]
- [  0.0000000,   0.0000000,  10.0000000, ]
lattice_lengths: [  10.00000,   10.00000,   10.00000, ]
lattice_angles: [ 90.000,  90.000,  90.000, ] # degrees, (23, 13, 12)
lattice_volume:   1.0000000E+03
convergence: {deltae: -4.681E-10, res2:  3.672E-07, residm:  2.580E-11, diffor: null, }
etotal    :  -1.11718435E+00
entropy   :   0.00000000E+00
fermie    :  -3.69421741E-01
cartesian_stress_tensor: # hartree/bohr^3
- [ -3.33791900E-06,   0.00000000E+00,   0.00000000E+00, ]
- [  0.00000000E+00,   3.45795063E-05,   0.00000000E+00, ]
- [  0.00000000E+00,   0.00000000E+00,   3.45795063E-05, ]
pressure_GPa:  -6.4551E-01
xred      :
- [ -7.0000E-02,   0.0000E+00,   0.0000E+00,  H]
- [  7.0000E-02,   0.0000E+00,   0.0000E+00,  H]
cartesian_forces: # hartree/bohr
- [ -2.69021104E-02,  -0.00000000E+00,  -0.00000000E+00, ]
- [  2.69021104E-02,  -0.00000000E+00,  -0.00000000E+00, ]
force_length_stats: {min:   2.69021104E-02, max:   2.69021104E-02, mean:   2.69021104E-02, }
...

 Integrated electronic density in atomic spheres:
 ------------------------------------------------
 Atom  Sphere_radius  Integrated_density
    1        2.00000          1.44870285
    2        2.00000          1.44870285
================================================================================

 ----iterations are completed or convergence reached----

 Mean square residual over all n,k,spin=   25.224E-12; max=  25.802E-12
 reduced coordinates (array xred) for    2 atoms
      -0.070000000000      0.000000000000      0.000000000000
       0.070000000000      0.000000000000      0.000000000000
 rms dE/dt=  1.5532E-01; max dE/dt=  2.6902E-01; dE/dt below (all hartree)
    1       0.269021103678      0.000000000000      0.000000000000
    2      -0.269021103678      0.000000000000      0.000000000000

 cartesian coordinates (angstrom) at end:
    1     -0.37042404601300     0.00000000000000     0.00000000000000
    2      0.37042404601300     0.00000000000000     0.00000000000000

 cartesian forces (hartree/bohr) at end:
    1     -0.02690211036783    -0.00000000000000    -0.00000000000000
    2      0.02690211036783    -0.00000000000000    -0.00000000000000
 frms,max,avg= 1.5531941E-02 2.6902110E-02   0.000E+00  0.000E+00  0.000E+00 h/b

 cartesian forces (eV/Angstrom) at end:
    1     -1.38336201933879    -0.00000000000000    -0.00000000000000
    2      1.38336201933879    -0.00000000000000    -0.00000000000000
 frms,max,avg= 7.9868443E-01 1.3833620E+00   0.000E+00  0.000E+00  0.000E+00 e/A
 length scales= 10.000000000000 10.000000000000 10.000000000000 bohr
              =  5.291772085900  5.291772085900  5.291772085900 angstroms
 prteigrs : about to open file tbase1_1o_EIG
 Fermi (or HOMO) energy (hartree) =  -0.36942   Average Vxc (hartree)=  -0.07352
 Eigenvalues (hartree) for nkpt=   1  k points:
 kpt#   1, nband=  2, wtk=  1.00000, kpt=  0.0000  0.0000  0.0000 (reduced coord)
  -0.36942   -0.01446

--- !EnergyTerms
iteration_state     : {dtset: 1, }
comment             : Components of total free energy in Hartree
kinetic             :  1.01705426532942E+00
hartree             :  7.26359620833802E-01
xc                  : -6.39065298290642E-01
Ewald energy        :  1.51051118525613E-01
psp_core            :  1.41966018330111E-03
local_psp           : -2.21187993697862E+00
non_local_psp       : -1.62123775947203E-01
total_energy        : -1.11718434634432E+00
total_energy_eV     : -3.04001320907585E+01
band_energy         : -7.38843481479398E-01
...


 Cartesian components of stress tensor (hartree/bohr^3)
  sigma(1 1)= -3.33791900E-06  sigma(3 2)=  0.00000000E+00
  sigma(2 2)=  3.45795063E-05  sigma(3 1)=  0.00000000E+00
  sigma(3 3)=  3.45795063E-05  sigma(2 1)=  0.00000000E+00

-Cartesian components of stress tensor (GPa)         [Pressure= -6.4551E-01 GPa]
- sigma(1 1)= -9.82049509E-02  sigma(3 2)=  0.00000000E+00
- sigma(2 2)=  1.01736403E+00  sigma(3 1)=  0.00000000E+00
- sigma(3 3)=  1.01736403E+00  sigma(2 1)=  0.00000000E+00

== END DATASET(S) ==============================================================
================================================================================
  
 -outvars: echo values of variables after computation  --------
            acell      1.0000000000E+01  1.0000000000E+01  1.0000000000E+01 Bohr
              amu      1.00794000E+00
           diemac      2.00000000E+00
             ecut      1.00000000E+01 Hartree
           etotal     -1.1171843463E+00
            fcart     -2.6902110368E-02 -0.0000000000E+00 -0.0000000000E+00
                       2.6902110368E-02 -0.0000000000E+00 -0.0000000000E+00
-          fftalg         312
           istwfk        2
              ixc       -1012
           kptopt           0
P           mkmem           1
            natom           2
            nband           2
            ngfft          30      30      30
             nkpt           1
            nstep          10
             nsym          16
           ntypat           1
              occ      2.000000  0.000000
          spgroup         123
           strten     -3.3379189980E-06  3.4579506319E-05  3.4579506319E-05
                       0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
           symrel      1  0  0   0  1  0   0  0  1      -1  0  0   0 -1  0   0  0 -1
                      -1  0  0   0  1  0   0  0 -1       1  0  0   0 -1  0   0  0  1
                      -1  0  0   0 -1  0   0  0  1       1  0  0   0  1  0   0  0 -1
                       1  0  0   0 -1  0   0  0 -1      -1  0  0   0  1  0   0  0  1
                       1  0  0   0  0  1   0  1  0      -1  0  0   0  0 -1   0 -1  0
                      -1  0  0   0  0  1   0 -1  0       1  0  0   0  0 -1   0  1  0
                      -1  0  0   0  0 -1   0  1  0       1  0  0   0  0  1   0 -1  0
                       1  0  0   0  0 -1   0 -1  0      -1  0  0   0  0  1   0  1  0
           toldfe      1.00000000E-06 Hartree
            typat      1  1
           xangst     -3.7042404601E-01  0.0000000000E+00  0.0000000000E+00
                       3.7042404601E-01  0.0000000000E+00  0.0000000000E+00
            xcart     -7.0000000000E-01  0.0000000000E+00  0.0000000000E+00
                       7.0000000000E-01  0.0000000000E+00  0.0000000000E+00
             xred     -7.0000000000E-02  0.0000000000E+00  0.0000000000E+00
                       7.0000000000E-02  0.0000000000E+00  0.0000000000E+00
            znucl        1.00000

================================================================================

- Total cpu        time (s,m,h):          0.5        0.01      0.000
- Total wall clock time (s,m,h):          0.6        0.01      0.000
-
- For major independent code sections, cpu and wall times (sec),
-  as well as % of the time and number of calls for node 0-
-<BEGIN_TIMER mpi_nprocs = 1, omp_nthreads = 1, mpi_rank = 0>
- cpu_time =            0.5, wall_time =            0.6
-
- routine                        cpu     %       wall     %      number of calls  Gflops    Speedup Efficacity
-                                                                  (-1=no count)
- timing timab                   0.147  26.7      0.147  26.5             10      -1.00        1.00       1.00
- ewald                          0.055  10.1      0.056  10.1              1      -1.00        0.99       0.99
- pspini                         0.053   9.7      0.053   9.6              1      -1.00        1.00       1.00
- xc:pot/=fourdp                 0.047   8.6      0.047   8.5              7      -1.00        1.00       1.00
- fourwf%(pot)                   0.045   8.3      0.044   7.9             73      -1.00        1.03       1.03
- stress                         0.037   6.8      0.037   6.7              1      -1.00        1.00       1.00
- ewald2 (+vdw_dftd)             0.035   6.3      0.035   6.3              1      -1.00        1.00       1.00
- fourdp                         0.024   4.4      0.021   3.8             31      -1.00        1.15       1.15
- invars2                        0.016   2.9      0.016   2.9              1      -1.00        1.00       1.00
- symrhg(no FFT)                 0.006   1.0      0.006   1.1              6      -1.00        0.93       0.93
- abinit(2)                      0.005   1.0      0.006   1.1              1      -1.00        0.90       0.90
- nonlop(apply)                  0.005   0.8      0.006   1.1             73      -1.00        0.75       0.75
- others (117)                   0.009   1.7      0.012   2.2             -1      -1.00        0.78       0.78
-<END_TIMER>
-
- subtotal                       0.485  88.3      0.486  87.7                                  1.00       1.00

- For major independent code sections, cpu and wall times (sec),
- as well as % of the total time and number of calls 

-<BEGIN_TIMER mpi_nprocs = 1, omp_nthreads = 1, mpi_rank = world>
- cpu_time =           0.5, wall_time =           0.6
-
- routine                         cpu     %       wall     %      number of calls Gflops    Speedup Efficacity
-                                                                  (-1=no count)
- timing timab                   0.147  26.7      0.147  26.5             10      -1.00        1.00       1.00
- ewald                          0.055  10.1      0.056  10.1              1      -1.00        0.99       0.99
- pspini                         0.053   9.7      0.053   9.6              1      -1.00        1.00       1.00
- xc:pot/=fourdp                 0.047   8.6      0.047   8.5              7      -1.00        1.00       1.00
- fourwf%(pot)                   0.045   8.3      0.044   7.9             73      -1.00        1.03       1.03
- stress                         0.037   6.8      0.037   6.7              1      -1.00        1.00       1.00
- ewald2 (+vdw_dftd)             0.035   6.3      0.035   6.3              1      -1.00        1.00       1.00
- fourdp                         0.024   4.4      0.021   3.8             31      -1.00        1.15       1.15
- invars2                        0.016   2.9      0.016   2.9              1      -1.00        1.00       1.00
- symrhg(no FFT)                 0.006   1.0      0.006   1.1              6      -1.00        0.93       0.93
- abinit(2)                      0.005   1.0      0.006   1.1              1      -1.00        0.90       0.90
- nonlop(apply)                  0.005   0.8      0.006   1.1             73      -1.00        0.75       0.75
- others (117)                   0.009   1.7      0.012   2.2             -1      -1.00        0.78       0.78
-<END_TIMER>

- subtotal                       0.485  88.3      0.486  87.7                                  1.00       1.00

================================================================================

 Suggested references for the acknowledgment of ABINIT usage.

 The users of ABINIT have little formal obligations with respect to the ABINIT group
 (those specified in the GNU General Public License, http://www.gnu.org/copyleft/gpl.txt).
 However, it is common practice in the scientific literature,
 to acknowledge the efforts of people that have made the research possible.
 In this spirit, please find below suggested citations of work written by ABINIT developers,
 corresponding to implementations inside of ABINIT that you have used in the present run.
 Note also that it will be of great value to readers of publications presenting these results,
 to read papers enabling them to understand the theoretical formalism and details
 of the ABINIT implementation.
 For information on why they are suggested, see also https://docs.abinit.org/theory/acknowledgments.
-
- [1] Libxc: A library of exchange and correlation functionals for density functional theory.
- M.A.L. Marques, M.J.T. Oliveira, T. Burnus, Computer Physics Communications 183, 2227 (2012).
- Comment: to be cited when LibXC is used (negative value of ixc)
- Strong suggestion to cite this paper.
- DOI and bibtex: see https://docs.abinit.org/theory/bibliography/#marques2012
-
- [2] The Abinit project: Impact, environment and recent developments.
- Computer Phys. Comm. 248, 107042 (2020).
- X.Gonze, B. Amadon, G. Antonius, F.Arnardi, L.Baguet, J.-M.Beuken,
- J.Bieder, F.Bottin, J.Bouchet, E.Bousquet, N.Brouwer, F.Bruneval,
- G.Brunin, T.Cavignac, J.-B. Charraud, Wei Chen, M.Cote, S.Cottenier,
- J.Denier, G.Geneste, Ph.Ghosez, M.Giantomassi, Y.Gillet, O.Gingras,
- D.R.Hamann, G.Hautier, Xu He, N.Helbig, N.Holzwarth, Y.Jia, F.Jollet,
- W.Lafargue-Dit-Hauret, K.Lejaeghere, M.A.L.Marques, A.Martin, C.Martins,
- H.P.C. Miranda, F.Naccarato, K. Persson, G.Petretto, V.Planes, Y.Pouillon,
- S.Prokhorenko, F.Ricci, G.-M.Rignanese, A.H.Romero, M.M.Schmitt, M.Torrent,
- M.J.van Setten, B.Van Troeye, M.J.Verstraete, G.Zerah and J.W.Zwanzig
- Comment: the fifth generic paper describing the ABINIT project.
- Note that a version of this paper, that is not formatted for Computer Phys. Comm. 
- is available at https://www.abinit.org/sites/default/files/ABINIT20.pdf .
- The licence allows the authors to put it on the Web.
- DOI and bibtex: see https://docs.abinit.org/theory/bibliography/#gonze2020
-
- [3] Optimized norm-conserving Vanderbilt pseudopotentials.
- D.R. Hamann, Phys. Rev. B 88, 085117 (2013).
- Comment: Some pseudopotential generated using the ONCVPSP code were used.
- DOI and bibtex: see https://docs.abinit.org/theory/bibliography/#hamann2013
-
- [4] ABINIT: Overview, and focus on selected capabilities
- J. Chem. Phys. 152, 124102 (2020).
- A. Romero, D.C. Allan, B. Amadon, G. Antonius, T. Applencourt, L.Baguet,
- J.Bieder, F.Bottin, J.Bouchet, E.Bousquet, F.Bruneval,
- G.Brunin, D.Caliste, M.Cote,
- J.Denier, C. Dreyer, Ph.Ghosez, M.Giantomassi, Y.Gillet, O.Gingras,
- D.R.Hamann, G.Hautier, F.Jollet, G. Jomard,
- A.Martin, 
- H.P.C. Miranda, F.Naccarato, G.Petretto, N.A. Pike, V.Planes,
- S.Prokhorenko, T. Rangel, F.Ricci, G.-M.Rignanese, M.Royo, M.Stengel, M.Torrent,
- M.J.van Setten, B.Van Troeye, M.J.Verstraete, J.Wiktor, J.W.Zwanziger, and X.Gonze.
- Comment: a global overview of ABINIT, with focus on selected capabilities .
- Note that a version of this paper, that is not formatted for J. Chem. Phys 
- is available at https://www.abinit.org/sites/default/files/ABINIT20_JPC.pdf .
- The licence allows the authors to put it on the Web.
- DOI and bibtex: see https://docs.abinit.org/theory/bibliography/#romero2020
-
- [5] Recent developments in the ABINIT software package.
- Computer Phys. Comm. 205, 106 (2016).
- X.Gonze, F.Jollet, F.Abreu Araujo, D.Adams, B.Amadon, T.Applencourt,
- C.Audouze, J.-M.Beuken, J.Bieder, A.Bokhanchuk, E.Bousquet, F.Bruneval
- D.Caliste, M.Cote, F.Dahm, F.Da Pieve, M.Delaveau, M.Di Gennaro,
- B.Dorado, C.Espejo, G.Geneste, L.Genovese, A.Gerossier, M.Giantomassi,
- Y.Gillet, D.R.Hamann, L.He, G.Jomard, J.Laflamme Janssen, S.Le Roux,
- A.Levitt, A.Lherbier, F.Liu, I.Lukacevic, A.Martin, C.Martins,
- M.J.T.Oliveira, S.Ponce, Y.Pouillon, T.Rangel, G.-M.Rignanese,
- A.H.Romero, B.Rousseau, O.Rubel, A.A.Shukri, M.Stankovski, M.Torrent,
- M.J.Van Setten, B.Van Troeye, M.J.Verstraete, D.Waroquier, J.Wiktor,
- B.Xu, A.Zhou, J.W.Zwanziger.
- Comment: the fourth generic paper describing the ABINIT project.
- Note that a version of this paper, that is not formatted for Computer Phys. Comm. 
- is available at https://www.abinit.org/sites/default/files/ABINIT16.pdf .
- The licence allows the authors to put it on the Web.
- DOI and bibtex: see https://docs.abinit.org/theory/bibliography/#gonze2016
-
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