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"""Global variables associated to the test suite."""
#: List of CPP variables that should be defined in config.h in order to enable this suite.
need_cpp_vars = [
]
#: List of keywords that are automatically added to all the tests of this suite.
keywords = [
]
#: List of input files
inp_files = [
# Constrained DFT
"t01.abi",
"t02.abi",
"t03.abi",
# Structure variable
"t04.abi",
# Optic
"t05.abi", # GGA-PBE nsppol=1
"t06.abi", # optic
"t07.abi", # GGA-PBE nsppol=2
"t08.abi", # optic
"t09.abi", # GGA-PBE PAW nsppol=1
"t10.abi", # optic
"t11.abi", # GGA-PBE PAW nsppol=2
"t12.abi", # optic
"t13.abi", # GGA-PBE NC BCC Iron ferromagnetic
"t14.abi", # GGA-PBE PAW BCC Iron ferromagnetic
"t15.abi", # check slight misalignment of rprim, with large tolsym
"t16.abi", # check slightly incorrect xred, with large tolsym
# check slightly incorrect rprim and xred, yielding correction to tnons, although stil not tolerated.
"t17.abi",
# check slightly incorrect rprim and xred, yielding correction to tnons, tolerated.
"t18.abi",
"t19.abi", # disable all checks thanks to expert_user
"t20.abi", # test treatment of inaccurate POSCAR file
"t21.abi", # test treatment of inaccurate POSCAR file
"t22.abi", # test different cellcharge for different images, algo pSIC
"t23.abi", # test treatment of inaccurate POSCAR file
"t24.abi", # test treatment of inaccurate POSCAR file
"t25.abi", # test treatment of inaccurate POSCAR file
"t26.abi", # test treatment of inaccurate POSCAR file
"t27.abi", # test treatment of inaccurate POSCAR file
"t28.abi", # test treatment of inaccurate POSCAR file
"t29.abi", # RMM-DIIS eigsolver for NC.
"t30.abi", # RMM-DIIS eigsolver for PAW.
# GW/BSE
"t31.abi", # HF exchange checking q->0 terms
"t32.abi", # AC GW
"t33.abi", # GW 1RDM and related quantities
"t34.abi", # Same as t33.in but reading checkpoints
"t35.abi", # GW 1RDM and related quantities (using only Sigma_x)
"t36.abi", # GW 1RDM and related quantities but using Silicon
"t37.abi", # GW 1RDM and related quantities but using Silicon with diff. bdgw values
"t40.abi", # chi0 with inclvkb=2
# DFPT
"t41.abi",
"t42.abi",
"t43.abi",
"t44.abi", # test orbital magnetism with DDK wavefunctions on Ne atom
"t46.abi", # longwave GGA
"t47.abi", # metallic iron GGA-PBE PAW nsppol=2
"t48.abi", # optic
"t49.abi", # optic (same as t14 but prtlincompmatrixelements = 1)
# Electron-phonon
"t50.abi",
"t51.abi",
"t52.abi",
"t53.abi",
"t54.abi",
"t55.abi",
"t56.abi",
"t57.abi",
"t58.abi",
"t59.abi",
"t60.abi",
"t61.abi",
"t62.abi",
"t63.abi",
"t64.abi",
"t65.abi",
"t66.abi",
"t67.abi",
# More ground state
"t71.abi", # test cprj_update_lvl and nloc_alg options, istwfk=1
"t72.abi", # test cprj_update_lvl and nloc_alg options, istwfk>=2
"t73.abi", # test cprj_update_lvl options, forces and stress computed at the end of the run
"t74.abi", # test cprj_update_lvl options, forces computed during SCF iterations
"t75.abi", # test useylm=1 for NCPP with all KB energies being negative
# test usepawu options (including negative ones), nsppol=nspinor=nspden=1
"t76.abi",
# test usepawu options (including negative ones), nsppol=2,nspden=2
"t77.abi",
# test usepawu options (including negative ones), nspinor=2,nspden=4
"t78.abi",
# test usepawu options (including negative ones), nspinor=2,nspden=1
"t79.abi",
# Spin dynamics in multibinit
"t81.abi", # set initial spin using rotation q-modulation
"t82.abi", # damping
# New lattice mover in multibinit
"t83.abi", # Langevin NVT
"t84.abi", # Berendsen NVT
"t85.abi", # Velocity Verlet NVE
"t86.abi", # Spin lattice coupling, Only Oiju term activated.
"t87.abi", # Spin lattice coupling, Oiju and Tijuv.
# test usepawu options with nspinor=2,nspden=4 and different pawxcdev
"t88.abi", # LDA
"t89.abi", # GGA
# GS Coulomb cut-off
"t90.abi", # checkG Coulomb cut-off, large tolerance a.t.m.
"t91.abi", # occopt 9 tests on Si
"t92.abi", # check extended fpmd routines with low number of bands
"t93.abi", # energy, forces for PAW non-collinear, with usexcnhat=0
"t94.abi", # energy, stress for PAW non-collinear, with usexcnhat=0
"t95.abi", # test treatment of inaccurate POSCAR file
"t96.abi", # test treatment of inaccurate POSCAR file
"t97.abi", # test treatment of inaccurate POSCAR file
"t98.abi", # test treatment of inaccurate POSCAR file
"t99.abi", # test treatment of inaccurate POSCAR file
# Optics with spin-orbit coupling
"t100.abi", # Optical conductivity with spin-orbit coupling - ABINIT step
"t101.abi", # Optical conductivity with spin-orbit coupling - CONDUCTI step
"t102.abi", # X-ray core spectrocopy with spin-orbit coupling - ABINIT step
"t103.abi", # X-ray core spectrocopy with spin-orbit coupling - CONDUCTI step
# Optcell test
"t104.abi", # Testing optcell 6 to relax 3rd vector not orthogonal to 1st and 2nd vectors
# PAW+U and lruj/ujdet utilities
"t105.abi", # Preliminary step for tests 106-109; generate WFK and DEN
"t106.abi", # Hubbard U (macro_uj=1) test of ujdet subroutines
"t107.abi", # Hund's J (macro_uj=4); preliminary step for t109
"t108.abi", # Test of irdden and prtdosm input keywords
"t109.abi", # Test of lruj post-processing w/ four LRUJ.nc files from t107
# Lattice Wannier function
# scdm-k method for lattice wannier function in anaddb (disentangle option 2)
"t110.abi",
# projWF method for lattice wannier function in anaddb (disentangle option 2)
"t111.abi",
# local orbital magnetic moments calculation.
"t112.abi", # test prt_lorbmag printing local orbital magnetic moments in atomic spheres
# GS PAW Hybrid functionals
"t120.abi", # test PBE0 and related functionals with PAW
# UPF2 format for norm-conserving pseudopotentials
"t130.abi", # UPF2
"t131.abi", # UPF2 with SOC
"t132.abi", # Forces using Beigi 2D cut-off
# more DFPT
"t140.abi", # test orbital magnetism with DDK wavefunctions on AlP solid
"t141.abi", # test orbital magnetism with DDK wavefunctions on AlP solid with nspinor 2
"t142.abi", # test orbital magnetism with DDK wavefunctions on AlP solid with nsppol 2
"t143.abi", # test orbital magnetism with DDK wavefunctions and metallic sodium
"t145.abi", # test quadrupole calculation with all negative KB energies As PSP
"t146.abi", # test antisymmetric vector potential response and quadrupoles of HF molecule
"t147.abi", # test total vector potential response and quadrupoles of HF molecule
"t148.abi", # test flexoelectric tensor calculation with ffnl_lw=1
]
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