
.Version 9.3.2 of ABINIT 
.(MPI 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 : Tue  8 Dec 2020.
- ( at 10h41 )
  
- input  file    -> /home/buildbot/ABINIT/alps_gnu_9.3_openmpi/trunk_beauty/tests/Test_suite/tutorial_tbase1_5/tbase1_5.in
- output file    -> tbase1_5.out
- root for input  files -> tbase1_5i
- root for output files -> tbase1_5o


 Symmetries : space group Pm -3 m (#221); Bravais cP (primitive cubic)
================================================================================
 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 =       1  nloc_mem =       1    nspden =       2   nspinor =       1
    nsppol =       2      nsym =      48    n1xccc =       0    ntypat =       1
    occopt =       2   xclevel =       1
-    mband =           1        mffmem =           1         mkmem =           1
       mpw =         752          nfft =       27000          nkpt =           1
================================================================================
P This job should need less than                      12.022 Mbytes of memory.
  Rough estimation (10% accuracy) of disk space for files :
_ WF disk file :      0.025 Mbytes ; DEN or POT disk file :      0.414 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           1
            nband           1       1
            ngfft          30      30      30
             nkpt           1
           nspden           2
           nsppol           2
            nstep          10
             nsym          48
           ntypat           1
              occ      1.000000
                       0.000000
           occopt           2
           prtvol           2
          spgroup         221
           spinat      0.0000000000E+00  0.0000000000E+00  1.0000000000E+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
                       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   1  0  0   0  0  1
                       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  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      -1  0  0   0  0  1   0  1  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   1  0  0
           toldfe      1.00000000E-06 Hartree
            typat      1
            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: 1, nkpt: 1, mband: 1, nsppol: 2, nspinor: 1, nspden: 2, mpw: 752, }
cutoff_energies: {ecut:  10.0, pawecutdg:  -1.0, }
electrons: {nelect:   1.00000000E+00, charge:   0.00000000E+00, occopt:   2.00000000E+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_openmpi/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_openmpi/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

   3.54915046E-01                                ecore*ucvol(ha*bohr**3)
--------------------------------------------------------------------------------

P newkpt: treating      1 bands with npw=     752 for ikpt=   1 by node    0
P newkpt: treating      1 bands with npw=     752 for ikpt=   1 by node    0
_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 -0.47392512431104    -4.739E-01 6.747E-06 4.683E+00
 ETOT  2 -0.47392965590756    -4.532E-06 8.633E-13 1.597E-01
 ETOT  3 -0.47393081420014    -1.158E-06 6.509E-09 1.777E-02
 ETOT  4 -0.47393103574284    -2.215E-07 1.198E-09 4.999E-05
 ETOT  5 -0.47393103688359    -1.141E-09 1.856E-12 2.009E-07

 At SCF step    5, etot is converged : 
  for the second time, diff in etot=  1.141E-09 < toldfe=  1.000E-06

 Cartesian components of stress tensor (hartree/bohr^3)
  sigma(1 1)=  1.75098943E-05  sigma(3 2)=  0.00000000E+00
  sigma(2 2)=  1.75098943E-05  sigma(3 1)=  0.00000000E+00
  sigma(3 3)=  1.75098943E-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: -1.141E-09, res2:  2.009E-07, residm:  1.856E-12, diffor: null, }
etotal    :  -4.73931037E-01
entropy   :   0.00000000E+00
fermie    :  -2.66611263E-01
cartesian_stress_tensor: # hartree/bohr^3
- [  1.75098943E-05,   0.00000000E+00,   0.00000000E+00, ]
- [  0.00000000E+00,   1.75098943E-05,   0.00000000E+00, ]
- [  0.00000000E+00,   0.00000000E+00,   1.75098943E-05, ]
pressure_GPa:  -5.1516E-01
xred      :
- [  0.0000E+00,   0.0000E+00,   0.0000E+00,  H]
cartesian_forces: # hartree/bohr
- [ -0.00000000E+00,  -0.00000000E+00,  -0.00000000E+00, ]
force_length_stats: {min:   0.00000000E+00, max:   0.00000000E+00, mean:   0.00000000E+00, }
...

 Integrated electronic and magnetization densities in atomic spheres:
 ---------------------------------------------------------------------
 Radius=ratsph(iatom), smearing ratsm=  0.0000. Diff(up-dn)=approximate z local magnetic moment.
 Atom    Radius    up_density   dn_density  Total(up+dn)  Diff(up-dn)
    1   2.00000     0.705948     0.000000      0.705948     0.705948
 ---------------------------------------------------------------------
  Sum:              0.705948     0.000000      0.705948     0.705948
 Total magnetization (from the atomic spheres):             0.705948
 Total magnetization (exact up - dn):                       1.000000
================================================================================

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

 Mean square residual over all n,k,spin=   15.159E-13; max=  18.555E-13
   0.0000  0.0000  0.0000    1  1.17622E-12 kpt; spin; max resid(k); each band:
   1.18E-12
   0.0000  0.0000  0.0000    2  1.85553E-12 kpt; spin; max resid(k); each band:
   1.86E-12
 reduced coordinates (array xred) for    1 atoms
       0.000000000000      0.000000000000      0.000000000000
 rms dE/dt=  0.0000E+00; max dE/dt=  0.0000E+00; dE/dt below (all hartree)
    1       0.000000000000      0.000000000000      0.000000000000

 cartesian coordinates (angstrom) at end:
    1      0.00000000000000     0.00000000000000     0.00000000000000

 cartesian forces (hartree/bohr) at end:
    1     -0.00000000000000    -0.00000000000000    -0.00000000000000
 frms,max,avg= 0.0000000E+00 0.0000000E+00   0.000E+00  0.000E+00  0.000E+00 h/b

 cartesian forces (eV/Angstrom) at end:
    1     -0.00000000000000    -0.00000000000000    -0.00000000000000
 frms,max,avg= 0.0000000E+00 0.0000000E+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_5o_EIG
 Fermi (or HOMO) energy (hartree) =  -0.26661   Average Vxc (hartree)=  -0.06841
 Eigenvalues (hartree) for nkpt=   1  k points, SPIN UP:
 kpt#   1, nband=  1, wtk=  1.00000, kpt=  0.0000  0.0000  0.0000 (reduced coord)
  -0.26661
 Eigenvalues (hartree) for nkpt=   1  k points, SPIN DOWN:
 kpt#   1, nband=  1, wtk=  1.00000, kpt=  0.0000  0.0000  0.0000 (reduced coord)
  -0.11113
 Total charge density [el/Bohr^3]
      Maximum=    1.4353E-01  at reduced coord.    0.0000    0.0000    0.0000
 Next maximum=    1.2266E-01  at reduced coord.    0.0000    0.0000    0.9667
      Minimum=    3.2349E-06  at reduced coord.    0.4667    0.4333    0.4333
 Next minimum=    3.2349E-06  at reduced coord.    0.5333    0.4333    0.4333
   Integrated=    1.0000E+00
 Spin up density      [el/Bohr^3]
      Maximum=    1.4353E-01  at reduced coord.    0.0000    0.0000    0.0000
 Next maximum=    1.2266E-01  at reduced coord.    0.0000    0.0000    0.9667
      Minimum=    3.2349E-06  at reduced coord.    0.4667    0.4333    0.4333
 Next minimum=    3.2349E-06  at reduced coord.    0.5333    0.4333    0.4333
   Integrated=    1.0000E+00
 Spin down density    [el/Bohr^3]
      Maximum=    0.0000E+00  at reduced coord.    0.9667    0.9667    0.9667
 Next maximum=    0.0000E+00  at reduced coord.    0.9333    0.9667    0.9667
      Minimum=    0.0000E+00  at reduced coord.    0.0000    0.0000    0.0000
 Next minimum=    0.0000E+00  at reduced coord.    0.0333    0.0000    0.0000
   Integrated=    0.0000E+00
 Magnetization (spin up - spin down) [el/Bohr^3]
      Maximum=    1.4353E-01  at reduced coord.    0.0000    0.0000    0.0000
 Next maximum=    1.2266E-01  at reduced coord.    0.0000    0.0000    0.9667
      Minimum=    3.2349E-06  at reduced coord.    0.4667    0.4333    0.4333
 Next minimum=    3.2349E-06  at reduced coord.    0.5333    0.4333    0.4333
   Integrated=    1.0000E+00
 Relative magnetization (=zeta, between -1 and 1)
      Maximum=    1.0000E+00  at reduced coord.    0.9667    0.9667    0.9667
 Next maximum=    1.0000E+00  at reduced coord.    0.9333    0.9667    0.9667
      Minimum=    1.0000E+00  at reduced coord.    0.0000    0.0000    0.0000
 Next minimum=    1.0000E+00  at reduced coord.    0.0333    0.0000    0.0000

--- !EnergyTerms
iteration_state     : {dtset: 1, }
comment             : Components of total free energy in Hartree
kinetic             :  4.14382372269026E-01
hartree             :  1.50459020296444E-01
xc                  : -2.65640701207764E-01
Ewald energy        : -1.41864873974033E-01
psp_core            :  3.54915045825276E-04
local_psp           : -5.80289532816776E-01
non_local_psp       : -5.13322364963099E-02
total_energy        : -4.73931036883587E-01
total_energy_eV     : -1.28963193678071E+01
band_energy         : -2.66611263130436E-01
...


 Cartesian components of stress tensor (hartree/bohr^3)
  sigma(1 1)=  1.75098943E-05  sigma(3 2)=  0.00000000E+00
  sigma(2 2)=  1.75098943E-05  sigma(3 1)=  0.00000000E+00
  sigma(3 3)=  1.75098943E-05  sigma(2 1)=  0.00000000E+00

-Cartesian components of stress tensor (GPa)         [Pressure= -5.1516E-01 GPa]
- sigma(1 1)=  5.15158790E-01  sigma(3 2)=  0.00000000E+00
- sigma(2 2)=  5.15158790E-01  sigma(3 1)=  0.00000000E+00
- sigma(3 3)=  5.15158790E-01  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     -4.7393103688E-01
            fcart     -0.0000000000E+00 -0.0000000000E+00 -0.0000000000E+00
-          fftalg         312
           istwfk        2
              ixc       -1012
           kptopt           0
P           mkmem           1
            natom           1
            nband           1       1
            ngfft          30      30      30
             nkpt           1
           nspden           2
           nsppol           2
            nstep          10
             nsym          48
           ntypat           1
              occ      1.000000
                       0.000000
           occopt           2
           prtvol           2
          spgroup         221
           spinat      0.0000000000E+00  0.0000000000E+00  1.0000000000E+00
           strten      1.7509894313E-05  1.7509894313E-05  1.7509894313E-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
                       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   1  0  0   0  0  1
                       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  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      -1  0  0   0  0  1   0  1  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   1  0  0
           toldfe      1.00000000E-06 Hartree
            typat      1
            znucl        1.00000

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


- Timing analysis has been suppressed with timopt=0



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

 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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