main/doxygen_doc/defaults_8h_source.html

#define DEFAULT__ABCAPHEIGHT (-0.2_8)

#define DEFAULT__ACBN0INTERSITEINTERACTION (no_8)

#define DEFAULT__ACBN0SCREENING (1.0_8)

#define DEFAULT__AOCOMBINEJORBITALS (no_8)

#define DEFAULT__AOLOEWDIN (no_8)

#define DEFAULT__AONORMALIZE (yes_8)

#define DEFAULT__AOTHRESHOLD (0.01_8)

#define DEFAULT__AOTRUNCATION (ao_full_8)

#define DEFAULT__ABSORBINGBOUNDARIES (not_absorbing_8)

#define DEFAULT__ACCELBENCHMARK (no_8)

#define DEFAULT__ACCELDEVICE (gpu_8)

#define DEFAULT__ACCELPLATFORM (0_8)

#define DEFAULT__ADAPTIVELYCOMPRESSEDEXCHANGE (false_8)

#define DEFAULT__ALLELECTRONANCPARAM (4_8)

#define DEFAULT__ALLELECTRONSIGMA (0.6_8)

#define DEFAULT__ALLELECTRONTYPE (no_8)

#define DEFAULT__ANALYTICALEXTERNALSOURCE (no_8)

#define DEFAULT__ANIMATIONMULTIFILES (false_8)

#define DEFAULT__ANIMATIONSAMPLING (100_8)

#define DEFAULT__AXISTYPE (inertia_8)

#define DEFAULT__BANDSTRUCTURECOMPUTEPROJECTIONS (false_8)

#define DEFAULT__BERKELEYGW_CALCDIPOLEMTXELS (false_8)

#define DEFAULT__BERKELEYGW_CALCEXCHANGE (false_8)

#define DEFAULT__BERKELEYGW_NUMBERBANDS (all_8)

#define DEFAULT__BERKELEYGW_VMTXELNUMCONDBANDS (0_8)

#define DEFAULT__BERKELEYGW_VMTXELNUMVALBANDS (0_8)

#define DEFAULT__BERKELEYGW_VMTXELPOLARIZATION ((1,_8)

#define DEFAULT__BERKELEYGW_VXC_DIAG_NMAX (nst_8)

#define DEFAULT__BERKELEYGW_VXC_DIAG_NMIN (1_8)

#define DEFAULT__BERKELEYGW_VXC_OFFDIAG_NMAX (nst_8)

#define DEFAULT__BERKELEYGW_VXC_OFFDIAG_NMIN (1_8)

#define DEFAULT__BERKELEYGW_WFN_FILENAME (WFN_8)

#define DEFAULT__BORNCHARGESUMRULECORRECTION (true_8)

#define DEFAULT__CGADDITIONALTERMS (no_8)

#define DEFAULT__CGENERGYCHANGETHRESHOLD (0.1_8)

#define DEFAULT__CGORTHOGONALIZEALL (no_8)

#define DEFAULT__CALCINFRARED (true_8)

#define DEFAULT__CALCNORMALMODEWFS (false_8)

#define DEFAULT__CALCULATEDIAMAGNETICCURRENT (no_8)

#define DEFAULT__CALCULATESELFINDUCEDMAGNETICFIELD (no_8)

#define DEFAULT__CALCULATIONMODE (gs_8)

#define DEFAULT__CASIDACALCFORCES (false_8)

#define DEFAULT__CASIDACALCFORCESKERNEL (true_8)

#define DEFAULT__CASIDACALCFORCESSCF (false_8)

#define DEFAULT__CASIDACALCTRIPLET (false_8)

#define DEFAULT__CASIDADISTRIBUTEDMATRIX (false_8)

#define DEFAULT__CASIDAHERMITIANCONJUGATE (false_8)

#define DEFAULT__CASIDAKOHNSHAMSTATES (all_8)

#define DEFAULT__CASIDAMOMENTUMTRANSFER (0_8)

#define DEFAULT__CASIDAPRINTEXCITATIONS (write_8)

#define DEFAULT__CASIDAQUADRATUREORDER (5_8)

#define DEFAULT__CASIDASPECTRUMBROADENING (0.005_8)

#define DEFAULT__CASIDASPECTRUMENERGYSTEP (0.001_8)

#define DEFAULT__CASIDASPECTRUMMAXENERGY (1.0_8)

#define DEFAULT__CASIDASPECTRUMMINENERGY (0.0_8)

#define DEFAULT__CASIDASPECTRUMROTATIONMATRIX (identity_8)

#define DEFAULT__CASIDATHEORYLEVEL (<tt>eps_diff_8)

#define DEFAULT__CASIDATRANSITIONDENSITIES (write_8)

#define DEFAULT__CASIDAWEIGHTTHRESHOLD (-1._8)

#define DEFAULT__CASIDAWRITEDISTRIBUTEDMATRIX (false_8)

#define DEFAULT__CHEBYSHEVFILTERBOUNDMIXING (0.5_8)

#define DEFAULT__CHEBYSHEVFILTERDEGREE (25_8)

#define DEFAULT__CHEBYSHEVFILTERLANCZOSORDER (5_8)

#define DEFAULT__CHEBYSHEVFILTERNITER (5_8)

#define DEFAULT__CHECKPOINTSMEDIUMFROMFILE (no_8)

#define DEFAULT__CONDUCTIVITYFROMFORCES (no_8)

#define DEFAULT__CONDUCTIVITYSPECTRUMTIMESTEPFACTOR (1_8)

#define DEFAULT__CONVABSDENS (0.0_8)

#define DEFAULT__CONVABSEV (0.0_8)

#define DEFAULT__CONVEIGENERROR (false_8)

#define DEFAULT__CONVENERGY (0.0_8)

#define DEFAULT__CONVRELDENS (1e-6_8)

#define DEFAULT__CONVRELEV (0.0_8)

#define DEFAULT__CONVERTEND (1_8)

#define DEFAULT__CONVERTENERGYMAX (w_max_8)

#define DEFAULT__CONVERTENERGYMIN (0.0_8)

#define DEFAULT__CONVERTENERGYSTEP (<math>2_8)

#define DEFAULT__CONVERTFTMETHOD (FAST_FOURIER_8)

#define DEFAULT__CONVERTFILENAME ("density"_8)

#define DEFAULT__CONVERTHOW (convert_format_8)

#define DEFAULT__CONVERTITERATEFOLDER (true_8)

#define DEFAULT__CONVERTOUTPUTFILENAME ("density"_8)

#define DEFAULT__CONVERTREADSIZE (mesh%np_8)

#define DEFAULT__CONVERTSTEP (1_8)

#define DEFAULT__CONVERTSUBTRACT (false_8)

#define DEFAULT__CONVERTSUBTRACTFILENAME (density_8)

#define DEFAULT__CONVERTSUBTRACTFOLDER (._8)

#define DEFAULT__CURRENTDENSITY (gradient_corrected_8)

#define DEFAULT__CURRENTDENSITYFACTOR (1.0_8)

#define DEFAULT__CURVGYGIA (0.5_8)

#define DEFAULT__CURVGYGIALPHA (2.0_8)

#define DEFAULT__CURVGYGIBETA (4.0_8)

#define DEFAULT__CURVMETHOD (curv_uniform_8)

#define DEFAULT__CURVMODINEJBAR (1/2_8)

#define DEFAULT__CURVMODINEJLOCAL (0.25_8)

#define DEFAULT__CURVMODINEJRANGE (2_8)

#define DEFAULT__CURVMODINEXBAR (1/3_8)

#define DEFAULT__DFTUBASISFROMSTATES (no_8)

#define DEFAULT__DFTUBASISSTATES (none_8)

#define DEFAULT__DFTUDOUBLECOUNTING (dft_u_fll_8)

#define DEFAULT__DFTULEVEL (no_8)

#define DEFAULT__DOSCOMPUTEPDOS (false_8)

#define DEFAULT__DOSENERGYPOINTS (500_8)

#define DEFAULT__DOSGAMMA (0.008_8)

#define DEFAULT__DEBUG (no_8)

#define DEFAULT__DEBUGTRAPSIGNALS (yes_8)

#define DEFAULT__DEGENERACYTHRESHOLD (1e-5_8)

#define DEFAULT__DERIVATIVESORDER (4_8)

#define DEFAULT__DERIVATIVESSTENCIL (stencil_star_8)

#define DEFAULT__DIMENSIONS (3_8)

#define DEFAULT__DISABLEACCEL (yes_8)

#define DEFAULT__DISPLACEMENT (0.01_8)

#define DEFAULT__DOUBLEFFTPARAMETER (2.0_8)

#define DEFAULT__DRESSEDORBITALS (false_8)

#define DEFAULT__ELFWITHCURRENTTERM (true_8)

#define DEFAULT__EMCALCBORNCHARGES (false_8)

#define DEFAULT__EMCALCDIAGONALFIELD (true_8)

#define DEFAULT__EMCALCMAGNETOOPTICS (false_8)

#define DEFAULT__EMCALCROTATORYRESPONSE (false_8)

#define DEFAULT__EMETA (0.0_8)

#define DEFAULT__EMFORCENOKDOTP (false_8)

#define DEFAULT__EMFREQSSORT (true_8)

#define DEFAULT__EMKPOINTOUTPUT (false_8)

#define DEFAULT__EMMAGNETOOPTICSNOHVAR (true_8)

#define DEFAULT__EMOCCUPIEDRESPONSE (false_8)

#define DEFAULT__EMPERTURBATIONTYPE (electric_8)

#define DEFAULT__EMSTARTDENSITYISZEROFIELD (true_8)

#define DEFAULT__EMSTATICELECTRICFIELD (0.01_8)

#define DEFAULT__EMVERBOSE (false_8)

#define DEFAULT__EMWAVEFUNCTIONSFROMSCRATCH (false_8)

#define DEFAULT__EMWRITERESTARTDENSITIES (true_8)

#define DEFAULT__EIGENSOLVERIMAGINARYTIME (0.1_8)

#define DEFAULT__EIGENSOLVERMINIMIZATIONITER (0_8)

#define DEFAULT__ENABLEPHOTONS (no_8)

#define DEFAULT__EWALDALPHA (0.21_8)

#define DEFAULT__EXCESSCHARGE (0.0_8)

#define DEFAULT__EXPERIMENTALFEATURES (no_8)

#define DEFAULT__EXTERNALCURRENT (no_8)

#define DEFAULT__EXTRASTATES (0_8)

#define DEFAULT__EXTRASTATESINPERCENT (0_8)

#define DEFAULT__EXTRASTATESTOCONVERGE (0_8)

#define DEFAULT__FFTLIBRARY (fftw_8)

#define DEFAULT__FFTOPTIMIZE (yes_8)

#define DEFAULT__FFTPREPAREPLAN (fftw_measure_8)

#define DEFAULT__FILTERPOTENTIALS (filter_ts_8)

#define DEFAULT__FORCECOMPLEX (no_8)

#define DEFAULT__FORCETOTALENFORCE (no_8)

#define DEFAULT__FROMSCRATCH (false_8)

#define DEFAULT__GOCENTER (no_8)

#define DEFAULT__GOFIREINTEGRATOR (verlet_8)

#define DEFAULT__GOFIREMASS (1.0_8)

#define DEFAULT__GOLINETOL (0.1_8)

#define DEFAULT__GOMAXITER (200_8)

#define DEFAULT__GOMETHOD (fire_8)

#define DEFAULT__GOOBJECTIVE (minimize_energy_8)

#define DEFAULT__GOTOLERANCE (0.001_8)

#define DEFAULT__GOTYPE (ions_8)

#define DEFAULT__GAUGEFIELDDELAY (0._8)

#define DEFAULT__GAUGEFIELDDYNAMICS (polarization_8)

#define DEFAULT__GAUGEFIELDPROPAGATE (no_8)

#define DEFAULT__GUESSMAGNETDENSITY (ferromagnetic_8)

#define DEFAULT__GYROMAGNETICRATIO (2.0023193043768_8)

#define DEFAULT__HFSINGULARITY (general_8)

#define DEFAULT__HFSINGULARITYNK (60_8)

#define DEFAULT__HFSINGULARITYNSTEPS (7_8)

#define DEFAULT__HAMILTONIANAPPLYPACKED (yes_8)

#define DEFAULT__HAMILTONIANVARIATION (hartree+fxc_8)

#define DEFAULT__HELMHOLTZCOULOMBGAUGETOLERANCE (1e-5_8)

#define DEFAULT__HELMHOLTZENFORCECOULOMBGAUGE (yes_8)

#define DEFAULT__HELMHOLTZVISUALIZEBOXES (no_8)

#define DEFAULT__INITIALIONICTEMPERATURE (0.0_8)

#define DEFAULT__INTERACTION1D (interaction_soft_coulomb_8)

#define DEFAULT__INTERACTION1DSCREENING (1.0_8)

#define DEFAULT__INTERACTIONTIMING (timing_exact_8)

#define DEFAULT__INVERTKSCONVABSDENS (1e-5_8)

#define DEFAULT__INVERTKSGODBYMU (1.0_8)

#define DEFAULT__INVERTKSGODBYPOWER (0.05_8)

#define DEFAULT__INVERTKSMAXITER (200_8)

#define DEFAULT__INVERTKSSTELLAALPHA (0.05_8)

#define DEFAULT__INVERTKSSTELLABETA (1.0_8)

#define DEFAULT__INVERTKSTARGETDENSITY (<tt>target_density.dat</tt>_8)

#define DEFAULT__INVERTKSVERBOSITY (0_8)

#define DEFAULT__INVERTKSMETHOD (iter_godby_8)

#define DEFAULT__IONSCONSTANTVELOCITY (no_8)

#define DEFAULT__KLIPHOTONCOC (.false._8)

#define DEFAULT__KPOINTSGRID (<math>\Gamma</math>-point_8)

#define DEFAULT__KPOINTSUSESYMMETRIES (no_8)

#define DEFAULT__KSINVERSIONASYMPTOTICS (xc_asymptotics_none_8)

#define DEFAULT__KSINVERSIONLEVEL (ks_inversion_adiabatic_8)

#define DEFAULT__KDOTPCALCSECONDORDER (false_8)

#define DEFAULT__KDOTPCALCULATEEFFECTIVEMASSES (true_8)

#define DEFAULT__KDOTPETA (0.0_8)

#define DEFAULT__KDOTPOCCUPIEDSOLUTIONMETHOD (sternheimer_eqn_8)

#define DEFAULT__KDOTPUSENONLOCALPSEUDOPOTENTIAL (true_8)

#define DEFAULT__KDOTPVELMETHOD (grad_vel_8)

#define DEFAULT__LCAOALTERNATIVE (false_8)

#define DEFAULT__LCAOCOMPLEXYLMS (false_8)

#define DEFAULT__LCAODIAGTOL (1e-10_8)

#define DEFAULT__LCAOEXTRAORBITALS (false_8)

#define DEFAULT__LCAOKEEPORBITALS (yes_8)

#define DEFAULT__LCAOMAXIMUMORBITALRADIUS (20.0_8)

#define DEFAULT__LCAOSAVEMEMORY (false_8)

#define DEFAULT__LCAOSCALEFACTOR (1.0_8)

#define DEFAULT__LDBADERTHRESHOLD (0.01_8)

#define DEFAULT__LDEND (0_8)

#define DEFAULT__LDFILENAME ('density'_8)

#define DEFAULT__LDIONICDIPOLE (yes_8)

#define DEFAULT__LDITERATEFOLDER (false_8)

#define DEFAULT__LDMULTIPOLELMAX (1_8)

#define DEFAULT__LDOUTPUT (multipoles_8)

#define DEFAULT__LDOUTPUTFORMAT (none_8)

#define DEFAULT__LDOVERWRITE (true_8)

#define DEFAULT__LDRADIIFILE ('default'_8)

#define DEFAULT__LDRESTART (false_8)

#define DEFAULT__LDRESTARTFOLDER ("ld.general"_8)

#define DEFAULT__LDSTART (0_8)

#define DEFAULT__LDSTEP (1_8)

#define DEFAULT__LDUPDATE (false_8)

#define DEFAULT__LDUSEATOMICRADII (false_8)

#define DEFAULT__LRCONVABSDENS (1e-5_8)

#define DEFAULT__LRCONVRELDENS (0.0_8)

#define DEFAULT__LRMAXIMUMITER (200_8)

#define DEFAULT__LRTOLADAPTIVEFACTOR (0.1_8)

#define DEFAULT__LRTOLFINALTOL (1e-6_8)

#define DEFAULT__LRTOLINITTOL (1e-2_8)

#define DEFAULT__LRTOLITERWINDOW (10_8)

#define DEFAULT__LRTOLSCHEME (tol_adaptive_8)

#define DEFAULT__LATTICEVECTORS (simple_8)

#define DEFAULT__LINEARMEDIUMOUTPUT (none_8)

#define DEFAULT__LINEARMEDIUMOUTPUTDIR ("output_iter"_8)

#define DEFAULT__LINEARSOLVER (qmr_symmetric_8)

#define DEFAULT__LINEARSOLVERMAXITER (1000_8)

#define DEFAULT__MPIDEBUGHOOK (no_8)

#define DEFAULT__MAGNETICCONSTRAIN (no_8)

#define DEFAULT__MAGNETICCONSTRAINSTRENGTH (0.01_8)

#define DEFAULT__MAGNETICGAUGECORRECTION (gipaw_8)

#define DEFAULT__MAXIMUMITER (200_8)

#define DEFAULT__MAXIMUMITERBERRY (10_8)

#define DEFAULT__MAXWELLABPMLPOWER (3.5_8)

#define DEFAULT__MAXWELLABPMLREFLECTIONERROR (1.0e-16_8)

#define DEFAULT__MAXWELLCOUPLINGMODE (none_8)

#define DEFAULT__MAXWELLDIPOLEFIELD (average_8)

#define DEFAULT__MAXWELLHAMILTONIANOPERATOR (faraday_ampere_8)

#define DEFAULT__MAXWELLOUTPUT (none_8)

#define DEFAULT__MAXWELLOUTPUTINTERVAL (50_8)

#define DEFAULT__MAXWELLOUTPUTITERDIR ("output_iter"_8)

#define DEFAULT__MAXWELLPLANEWAVESINBOX (no_8)

#define DEFAULT__MAXWELLRESTARTWRITEINTERVAL (50_8)

#define DEFAULT__MAXWELLTDETRSAPPROX (no_8)

#define DEFAULT__MAXWELLTDOUTPUT (maxwell_energy_8)

#define DEFAULT__MAXWELLTESTQUADRUPOLE (no_8)

#define DEFAULT__MEDIUMDISPERSIONTYPE (drude_medium_8)

#define DEFAULT__MEDIUMELECTRICSIGMA (0._8)

#define DEFAULT__MEDIUMEPSILONFACTOR (1.0._8)

#define DEFAULT__MEDIUMMAGNETICSIGMA (0._8)

#define DEFAULT__MEDIUMMUFACTOR (1.0_8)

#define DEFAULT__MEDIUMPOLEDAMPING (0_8)

#define DEFAULT__MEDIUMPOLEENERGY (0_8)

#define DEFAULT__MEDIUMPOLESTRENGTH (1.0_8)

#define DEFAULT__MEDIUMWIDTH (0.0_8)

#define DEFAULT__MEMORYLIMIT (-1_8)

#define DEFAULT__MESHINDEXTYPE (idx_cubic_8)

#define DEFAULT__MESHLOCALORDER (blocks_8)

#define DEFAULT__MESHPARTITIONSTENCIL (stencil_star_8)

#define DEFAULT__MESHPARTITIONVIRTUALSIZE (mesh_8)

#define DEFAULT__MESHUSETOPOLOGY (false_8)

#define DEFAULT__MIXINTERVAL (1_8)

#define DEFAULT__MIXNUMBERSTEPS (4_8)

#define DEFAULT__MIXING (0.3_8)

#define DEFAULT__MIXINGKERKER (false_8)

#define DEFAULT__MIXINGKERKERFACTOR (1.0_8)

#define DEFAULT__MIXINGPRECONDITIONER (false_8)

#define DEFAULT__MIXINGRESIDUAL (0.05_8)

#define DEFAULT__MIXINGRESTART (20_8)

#define DEFAULT__MIXINGSCHEME (broyden_8)

#define DEFAULT__MULTIGRIDDERIVATIVESORDER (1_8)

#define DEFAULT__MULTIGRIDLEVELS (4_8)

#define DEFAULT__MULTIGRIDMAXCYCLES (50_8)

#define DEFAULT__MULTIGRIDPOSTSMOOTHINGSTEPS (4_8)

#define DEFAULT__MULTIGRIDPRESMOOTHINGSTEPS (1_8)

#define DEFAULT__MULTIGRIDRESTRICTIONMETHOD (fullweight_8)

#define DEFAULT__MULTIPOLAREXPANSIONTERMS (electric_dipole_8)

#define DEFAULT__NDSFATIMEINTEGRATIONSTEP (0.01_8)

#define DEFAULT__NDIMMODELMB (1_8)

#define DEFAULT__NFFTCUTOFF (6_8)

#define DEFAULT__NFFTGURUINTERFACE (false_8)

#define DEFAULT__NFFTOVERSAMPLING (2_8)

#define DEFAULT__NFFTPRECOMPUTE (NFFT_PRE_PSI_8)

#define DEFAULT__NLOPERATORCOMPACTBOUNDARIES (no_8)

#define DEFAULT__NPARTICLEMODELMB (0_8)

#define DEFAULT__NTYPEPARTICLEMODELMB (1_8)

#define DEFAULT__NUMBEROFREPLICAS (1_8)

#define DEFAULT__OCTCHECKGRADIENT (0.0_8)

#define DEFAULT__OCTCONTROLFUNCTIONOMEGAMAX (-1.0_8)

#define DEFAULT__OCTCONTROLFUNCTIONREPRESENTATION (control_fourier_series_h_8)

#define DEFAULT__OCTCONTROLFUNCTIONTYPE (controlfunction_mode_epsilon_8)

#define DEFAULT__OCTCURRENTFUNCTIONAL (oct_no_curr_8)

#define DEFAULT__OCTCURRENTWEIGHT (0.0_8)

#define DEFAULT__OCTDELTA (0.0_8)

#define DEFAULT__OCTDIRECTSTEP (0.25_8)

#define DEFAULT__OCTDOUBLECHECK (true_8)

#define DEFAULT__OCTDUMPINTERMEDIATE (true_8)

#define DEFAULT__OCTEPS (1.0e-6_8)

#define DEFAULT__OCTETA (1.0_8)

#define DEFAULT__OCTFIXFLUENCETO (0.0_8)

#define DEFAULT__OCTFIXINITIALFLUENCE (yes_8)

#define DEFAULT__OCTHARMONICWEIGHT ("1"_8)

#define DEFAULT__OCTINITIALSTATE (oct_is_groundstate_8)

#define DEFAULT__OCTMAXITER (10_8)

#define DEFAULT__OCTNUMBERCHECKPOINTS (0_8)

#define DEFAULT__OCTOPTIMIZEHARMONICSPECTRUM (no_8)

#define DEFAULT__OCTPENALTY (1.0_8)

#define DEFAULT__OCTRANDOMINITIALGUESS (false_8)

#define DEFAULT__OCTSCHEME (oct_zbr98_8)

#define DEFAULT__OCTSTARTITERCURRTG (0_8)

#define DEFAULT__OCTTARGETDENSITYFROMSTATE (no_8)

#define DEFAULT__OCTTARGETOPERATOR (oct_tg_gstransformation_8)

#define DEFAULT__OCTTARGETTRANSFORMSTATES (no_8)

#define DEFAULT__OEPLEVEL (oep_kli_8)

#define DEFAULT__OEPMIXING (1.0_8)

#define DEFAULT__OEPMIXINGSCHEME (oep_mixing_scheme_const_8)

#define DEFAULT__OEPREMOVEELECTRON (.false._8)

#define DEFAULT__ONLYUSERDEFINEDINITIALSTATES (no_8)

#define DEFAULT__OPERATEACCEL (map_8)

#define DEFAULT__OPERATECOMPLEX (optimized_8)

#define DEFAULT__OPERATEDOUBLE (optimized_8)

#define DEFAULT__OPTIMIZECHEBYSHEVFILTERDEGREE (yes_8)

#define DEFAULT__OUTPUT (none_8)

#define DEFAULT__OUTPUTDURINGSCF (no_8)

#define DEFAULT__OUTPUTFORMAT (0_8)

#define DEFAULT__OUTPUTINTERVAL (50_8)

#define DEFAULT__OUTPUTITERDIR ("output_iter"_8)

#define DEFAULT__OUTPUTMEEND (1_8)

#define DEFAULT__OUTPUTMEMULTIPOLES (1_8)

#define DEFAULT__OUTPUTMESTART (1_8)

#define DEFAULT__OUTPUTMATRIXELEMENTS (none_8)

#define DEFAULT__OUTPUTWFSNUMBER (all_8)

#define DEFAULT__PCMCALCMETHOD (pcm_direct_8)

#define DEFAULT__PCMCALCULATION (no_8)

#define DEFAULT__PCMCHARGESMEARNN (2_8)

#define DEFAULT__PCMDEBYERELAXTIME (0.0_8)

#define DEFAULT__PCMDRUDELDAMPING (0.0_8)

#define DEFAULT__PCMDRUDELOMEGA (<math>\sqrt{1/(\varepsilon_0-1)}</math>_8)

#define DEFAULT__PCMDYNAMICEPSILON (PCMStaticEpsilon_8)

#define DEFAULT__PCMEOMINITIALCHARGES (0_8)

#define DEFAULT__PCMEPSILONMODEL (pcm_debye_8)

#define DEFAULT__PCMGAMESSBENCHMARK (.false._8)

#define DEFAULT__PCMKICK (no_8)

#define DEFAULT__PCMLOCALFIELD (no_8)

#define DEFAULT__PCMQTOTTOL (0.5_8)

#define DEFAULT__PCMRENORMCHARGES (.false._8)

#define DEFAULT__PCMSMEARINGFACTOR (1.0_8)

#define DEFAULT__PCMSOLUTE (yes_8)

#define DEFAULT__PCMSPHERESONH (no_8)

#define DEFAULT__PCMSTATICEPSILON (1.0_8)

#define DEFAULT__PCMTDLEVEL (eq_8)

#define DEFAULT__PCMTESSMINDISTANCE (0.1_8)

#define DEFAULT__PCMTESSSUBDIVIDER (1_8)

#define DEFAULT__PCMUPDATEITER (1_8)

#define DEFAULT__PCMVDWRADII (pcm_vdw_optimized_8)

#define DEFAULT__PESMASK2PENLARGEFACTOR (1.0_8)

#define DEFAULT__PESMASKENLARGEFACTOR (1_8)

#define DEFAULT__PESMASKFILTERCUTOFF (-1_8)

#define DEFAULT__PESMASKINCLUDEPSIA (false_8)

#define DEFAULT__PESMASKMODE (mask_mode_8)

#define DEFAULT__PESMASKPLANEWAVEPROJECTION (fft_map_8)

#define DEFAULT__PESMASKSHAPE (m_sin2_8)

#define DEFAULT__PESMASKSPECTENERGYMAX (maxval(mask%Lk)<math>^2/2</math>_8)

#define DEFAULT__PESMASKSTARTTIME (-1.0_8)

#define DEFAULT__PES_FLUX_DELTAK (0.02_8)

#define DEFAULT__PES_FLUX_KMAX (1.0_8)

#define DEFAULT__PES_FLUX_KMIN (0.0_8)

#define DEFAULT__PES_FLUX_LMAX (80_8)

#define DEFAULT__PES_FLUX_STEPSPHIK (90_8)

#define DEFAULT__PES_FLUX_STEPSTHETAK (45_8)

#define DEFAULT__PES_SPM_OMEGAMAX (0.0_8)

#define DEFAULT__PES_SPM_STEPSPHIR (90_8)

#define DEFAULT__PES_SPM_STEPSTHETAR (45_8)

#define DEFAULT__PES_SPM_RECIPE (phase_8)

#define DEFAULT__PNFFTCUTOFF (6_8)

#define DEFAULT__PNFFTOVERSAMPLING (2.0_8)

#define DEFAULT__PARDOMAINS (auto_8)

#define DEFAULT__PARKPOINTS (auto_8)

#define DEFAULT__PAROTHER (auto_8)

#define DEFAULT__PARALLELXC (true_8)

#define DEFAULT__PARALLELIZATIONNUMBERSLAVES (0_8)

#define DEFAULT__PARALLELIZATIONOFDERIVATIVES (non_blocking_8)

#define DEFAULT__PARALLELIZATIONPOISSONALLNODES (true_8)

#define DEFAULT__PARTICLEMASS (1.0_8)

#define DEFAULT__PARTITIONPRINT (true_8)

#define DEFAULT__PAULIHAMILTONIANTERMS (non_uniform_vector_potential_8)

#define DEFAULT__PERIODICDIMENSIONS (0_8)

#define DEFAULT__PHOTODOPINGBAND (1_8)

#define DEFAULT__PHOTODOPINGNUMELECTRONS (0_8)

#define DEFAULT__PHOTODOPINGSMEARING (0.1_8)

#define DEFAULT__PHOTOELECTRONSPECTRUM (none_8)

#define DEFAULT__PHOTOELECTRONSPECTRUMOUTPUT (none_8)

#define DEFAULT__PHOTONETA (0.0000367_8)

#define DEFAULT__PHOTONXCENERGYMETHOD (1_8)

#define DEFAULT__PHOTONXCETAC (1.0_8)

#define DEFAULT__PHOTONXCLDAKAPPA (1.0_8)

#define DEFAULT__PHOTONXCLAMBSHIFT (.false._8)

#define DEFAULT__PHOTONXCLAMBSHIFTOMEGACUTOFF (0.0_8)

#define DEFAULT__PHOTONXCLAMBSHIFTRENORMALIZEMASS (.false._8)

#define DEFAULT__PHOTONMODESFILENAME ("photonmodes"_8)

#define DEFAULT__POISSON1DSOFTCOULOMBPARAM (1.0_8)

#define DEFAULT__POISSONSOLVERBOUNDARIES (multipole_8)

#define DEFAULT__POISSONSOLVERMAXITER (500_8)

#define DEFAULT__POISSONSOLVERNODES (0_8)

#define DEFAULT__POISSONSOLVERPSOLVERPARALLELDATA (yes_8)

#define DEFAULT__POISSONSOLVERTHRESHOLD (1e-6_8)

#define DEFAULT__POISSONTESTPERIODICTHRESHOLD (1e-5_8)

#define DEFAULT__PROFILINGALLNODES (no_8)

#define DEFAULT__PROFILINGMODE (no_8)

#define DEFAULT__PROFILINGOUTPUTTREE (yes_8)

#define DEFAULT__PROFILINGOUTPUTYAML (no_8)

#define DEFAULT__PROPAGATESPATIALMAXWELLFIELD (yes_8)

#define DEFAULT__PROPAGATIONSPECTRUMDAMPFACTOR (-1.0_8)

#define DEFAULT__PROPAGATIONSPECTRUMENDTIME (-1.0_8)

#define DEFAULT__PROPAGATIONSPECTRUMENERGYSTEP (0.01_8)

#define DEFAULT__PROPAGATIONSPECTRUMMAXENERGY (20_8)

#define DEFAULT__PROPAGATIONSPECTRUMMINENERGY (0_8)

#define DEFAULT__PROPAGATIONSPECTRUMSIGMADIAGONALIZATION (.false._8)

#define DEFAULT__PROPAGATIONSPECTRUMSTARTTIME (0.0_8)

#define DEFAULT__PROPAGATIONSPECTRUMSYMMETRIZESIGMA (.false._8)

#define DEFAULT__PROPAGATIONSPECTRUMTRANSFORM (sine_8)

#define DEFAULT__PROPAGATIONSPECTRUMTYPE (AbsorptionSpectrum_8)

#define DEFAULT__PSEUDOPOTENTIALSET (standard_8)

#define DEFAULT__QPOINTSGRID (KPointsGrid_8)

#define DEFAULT__RDMBASIS (yes_8)

#define DEFAULT__RDMCONVENER (1e-6_8)

#define DEFAULT__RDMHARTREEFOCK (no_8)

#define DEFAULT__RDMTOLERANCE (1e-7_8)

#define DEFAULT__RDMTOLERANCEFO (1e-4_8)

#define DEFAULT__RANDOMVELOCITYTEMP (0.0_8)

#define DEFAULT__RASHBASPINORBITCOUPLING (0.0_8)

#define DEFAULT__RECALCULATEGSDURINGEVOLUTION (no_8)

#define DEFAULT__REGRIDDINGINTERPOLATIONLEVEL (regridding_linear_8)

#define DEFAULT__REGRIDDINGRESCALE (scale_norm2_8)

#define DEFAULT__REGULARIZATIONFUNCTION (COS2_8)

#define DEFAULT__REGULARIZATIONFUNCTIONWIDTH (2_8)

#define DEFAULT__RELATIVISTICCORRECTION (non_relativistic_8)

#define DEFAULT__REORDERRANKS (no_8)

#define DEFAULT__REPORTMEMORY (no_8)

#define DEFAULT__RESPONSEMETHOD (sternheimer_8)

#define DEFAULT__RESTARTFIXEDOCCUPATIONS (yes_8)

#define DEFAULT__RESTARTREORDEROCCS (no_8)

#define DEFAULT__RESTARTWALLTIMEPERIOD (120_8)

#define DEFAULT__RESTARTWRITE (true_8)

#define DEFAULT__RESTARTWRITEINTERVAL (50_8)

#define DEFAULT__RESTARTWRITETIME (5_8)

#define DEFAULT__ROOTSOLVER (root_newton_8)

#define DEFAULT__ROOTSOLVERABSTOLERANCE (1e-10_8)

#define DEFAULT__ROOTSOLVERMAXITER (500_8)

#define DEFAULT__ROOTSOLVERRELTOLERANCE (1e-10_8)

#define DEFAULT__SCDMFORPZSIC (.false._8)

#define DEFAULT__SCDMSIGMA (0.2_8)

#define DEFAULT__SCFCALCULATEPARTIALCHARGES (no_8)

#define DEFAULT__SCFINLCAO (no_8)

#define DEFAULT__SICCORRECTION (sic_none_8)

#define DEFAULT__SOSTRENGTH (1.0_8)

#define DEFAULT__SPARSKITABSTOLERANCE (1e-10_8)

#define DEFAULT__SPARSKITITEROUT (-1_8)

#define DEFAULT__SPARSKITKRYLOVSUBSPACESIZE (15_8)

#define DEFAULT__SPARSKITMAXITER (50000_8)

#define DEFAULT__SPARSKITRELTOLERANCE (1e-8_8)

#define DEFAULT__SPARSKITSOLVER (sk_bcg_8)

#define DEFAULT__SPARSKITVERBOSESOLVER (no_8)

#define DEFAULT__SKIPSORBITALS (no_8)

#define DEFAULT__SLAKODIR ("./"_8)

#define DEFAULT__SMEARING (0.1_8)

#define DEFAULT__SMEARINGFUNCTION (semiconducting_8)

#define DEFAULT__SMEARINGMPORDER (1_8)

#define DEFAULT__SPECIESPROJECTORSPHERETHRESHOLD (0.001_8)

#define DEFAULT__SPECIESTIMEDEPENDENT (no_8)

#define DEFAULT__SPECTRUMMETHOD (fourier_8)

#define DEFAULT__SPECTRUMSIGNALNOISE (0.0_8)

#define DEFAULT__SPEEDOFLIGHTFACTOR (1.0_8)

#define DEFAULT__SPINCOMPONENTS (unpolarized_8)

#define DEFAULT__SPIRALBOUNDARYCONDITION (no_8)

#define DEFAULT__STATESCLDEVICEMEMORY (-512_8)

#define DEFAULT__STATESRANDOMIZATION (par_independent_8)

#define DEFAULT__STATICELECTRICFIELD (0_8)

#define DEFAULT__STATICMAGNETICFIELD2DGAUGE (linear_xy_8)

#define DEFAULT__SUBSPACEDIAGONALIZATION (standard_8)

#define DEFAULT__SUPERCELLDIMENSIONS (KPointsGrid_8)

#define DEFAULT__SURFACECORRECTION (no_8)

#define DEFAULT__SYMMETRIZEDENSITY (no_8)

#define DEFAULT__SYMMETRIZEDYNAMICALMATRIX (true_8)

#define DEFAULT__TDCHEBYSHEVTOL (1e-5_8)

#define DEFAULT__TDDELTAKICKTIME (0.0_8)

#define DEFAULT__TDDELTASTRENGTH (0_8)

#define DEFAULT__TDDELTASTRENGTHMODE (kick_density_8)

#define DEFAULT__TDDYNAMICS (ehrenfest_8)

#define DEFAULT__TDEXPORDER (4_8)

#define DEFAULT__TDEXPONENTIALMETHOD (taylor_8)

#define DEFAULT__TDFLOQUETDIMENSION (-1_8)

#define DEFAULT__TDFLOQUETFREQUENCY (0_8)

#define DEFAULT__TDFLOQUETSAMPLE (20_8)

#define DEFAULT__TDFREEZEDFTUOCCUPATIONS (no_8)

#define DEFAULT__TDFREEZEHXC (no_8)

#define DEFAULT__TDFREEZEORBITALS (0_8)

#define DEFAULT__TDFREEZEU (no_8)

#define DEFAULT__TDIONICTIMESCALE (1.0_8)

#define DEFAULT__TDLANCZOSTOL (1e-5_8)

#define DEFAULT__TDMAXSTEPS (1500_8)

#define DEFAULT__TDMULTIPOLELMAX (1_8)

#define DEFAULT__TDOUTPUT (multipoles_8)

#define DEFAULT__TDOUTPUTCOMPUTEINTERVAL (50_8)

#define DEFAULT__TDOUTPUTDFTU (none_8)

#define DEFAULT__TDOUTPUTRESOLVESTATES (No_8)

#define DEFAULT__TDPHOTONICTIMESCALE (1.0_8)

#define DEFAULT__TDPOLARIZATIONEQUIVAXES (0_8)

#define DEFAULT__TDPROJSTATESTART (1_8)

#define DEFAULT__TDPROPAGATOR (etrs_8)

#define DEFAULT__TDSCFTHRESHOLD (1.0e-6_8)

#define DEFAULT__TDSCISSOR (0.0_8)

#define DEFAULT__TDSTEPSWITHSELFCONSISTENCY (0_8)

#define DEFAULT__TDSYSTEMPROPAGATOR (static_8)

#define DEFAULT__TEMPERATUREFUNCTION ("temperature"_8)

#define DEFAULT__TESTBATCHOPS (ops_axpy_8)

#define DEFAULT__TESTHAMILTONIANAPPLY (term_all_8)

#define DEFAULT__TESTMAXBLOCKSIZE (128_8)

#define DEFAULT__TESTMINBLOCKSIZE (1_8)

#define DEFAULT__TESTMODE (hartree_8)

#define DEFAULT__TESTREPETITIONS (1_8)

#define DEFAULT__TESTTYPE (all_8)

#define DEFAULT__TESTVECTORPOTENTIALTYPE (bounded_8)

#define DEFAULT__THERMOSTAT (none_8)

#define DEFAULT__THERMOSTATMASS (1.0_8)

#define DEFAULT__TIMEZERO (no_8)

#define DEFAULT__TOTALSTATES (0_8)

#define DEFAULT__TRANSFORMSTATES (no_8)

#define DEFAULT__TRANSIENTABSORPTIONREFERENCE ("."_8)

#define DEFAULT__TRANSIENTMAGNETIZATIONREFERENCE ("."_8)

#define DEFAULT__TRANSVERSEFIELDCALCULATION (no_8)

#define DEFAULT__UNFOLDENERGYSTEP (0_8)

#define DEFAULT__UNFOLDLATTICEVECTORS (simple_8)

#define DEFAULT__UNFOLDMODE (none_8)

#define DEFAULT__UNITS (atomic_8)

#define DEFAULT__UNITSOUTPUT (atomic_8)

#define DEFAULT__UNITSXYZFILES (angstrom_units_8)

#define DEFAULT__UNOCCSHOWOCCSTATES (false_8)

#define DEFAULT__UNOCCUSETD (no_8)

#define DEFAULT__USEALLATOMICORBITALS (no_8)

#define DEFAULT__VDWCORRECTION (no_8)

#define DEFAULT__VDWSELFCONSISTENT (yes_8)

#define DEFAULT__VDW_TS_CUTOFF (10.0_8)

#define DEFAULT__VDW_TS_DAMPING (20.0_8)

#define DEFAULT__VDW_TS_SR (0.94_8)

#define DEFAULT__VIBRATIONALSPECTRUMTIMESTEPFACTOR (10_8)

#define DEFAULT__WALLTIME (0_8)

#define DEFAULT__WANNIER90FILES (w90_mmn_8)

#define DEFAULT__WANNIER90MODE (0_8)

#define DEFAULT__WANNIER90PREFIX (w90_8)

#define DEFAULT__WANNIER90USESCDM (no_8)

#define DEFAULT__WANNIER90USETD (no_8)

#define DEFAULT__WORKDIR ("."_8)

#define DEFAULT__XCDENSITYCORRECTION (none_8)

#define DEFAULT__XCDENSITYCORRECTIONCUTOFF (0.0_8)

#define DEFAULT__XCDENSITYCORRECTIONMINIMUM (true_8)

#define DEFAULT__XCDENSITYCORRECTIONNORMALIZE (true_8)

#define DEFAULT__XCDENSITYCORRECTIONOPTIMIZE (true_8)

#define DEFAULT__XCKERNEL (-1_8)

#define DEFAULT__XCKERNELLRCALPHA (0.0_8)

#define DEFAULT__XCPHOTONFUNCTIONAL (0_8)

#define DEFAULT__XCPHOTONINCLUDEHARTREE (yes_8)

#define DEFAULT__XCUSEGAUGEINDEPENDENTKED (yes_8)

#define DEFAULT__XSFCOORDINATESANIMSTEP (1_8)

#define DEFAULT__XALPHA (1.0_8)

#define DEFAULT__XLENGTH (<tt>Radius</tt>_8)

#define DEFAULT__STDERR ("-"_8)

#define DEFAULT__STDOUT ("-"_8)

#define DEFAULT__VDWNPOINTS (6_8)