abinit/tests/v1

This directory, v1, contains tests which exercise parts 
of the ABINIT package, especially those features acquired
during the development of the version 1.

Please, see the README file in the tests directory (above this one) to get help.


Tests 1 to 9 are related with occupation numbers and treatment of metals
Tests 10 to 20 examine different exchange-correlation functionals, in the 
              spin-unpolarized case.
Tests 21 to 23 examine different exchange-correlation functionals, in the
              spin-polarized case.
Tests 24, 25, 28 and 29 make additional tests related with XC, especially GGA.
Test 30 examine Fermi-Amaldi functional
Tests 31 to 38 test different isolated atoms : test Troullier-Martins, 
              Hartwigsen-Goedecker-Hutter pseudopotentials,
              old Teter pseudopotentials (code ATOM), 
              FHI pseudopotentials (code FHI98PP) or
              pseudopotentials on Hamann's grid;
              also test non-sphericity and spin-polarization
Test  39   the use of the spinat variable
Test  40 to 42 are tests with a medium or large number of atoms
Tests 40, 42 and 43  test the geometry builder and the mix of type of atoms
Tests 44 and 45  test the option ionmov=4, with iscf=5 and 2,
              while test 45 also initialize test 46 and 47.
Tests 46 and 47  test the option iscf=1 (determination of the SCF eigenvalue).
Test 48 to 50 test option densfor_pred=2 or 3,  with ionmov=4, and iscf=2 or 5
Tests 51 to 58 test dielectric matrix
Tests 59 and many following ones (until 97) test or use multi-data set features
Test  67 and 68 determines an optimal densty parameter.
Test  69 and 70 computes excited states thanks to TDDFT
Test  71 to 73 test iprcel=55 and 65
Test  74 uses multidataset with geometric series
Test  75 uses the restartxf option
Test  76 to 82 relates to cell optimization : use of ecutsm, dilatmx, optcell .
Test  83 and 84 uses double-loop datasets.
Test  85 and 86 test iatfixx, iatfixy and iatfixz.
Test  87 to 89 uses different combinations of fftalg=1xx and istwfk 
Test  90 to 96 test the symmetriser
         (more tests of the symmetriser should be set up)
Tests 97 to 99 test the ability to exit a job (exit file or cpu limit). 
             98 and 99 are machine-dependent !