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grogu/lat3_791/fdf-58450.log

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SystemName Fe3GeTe2
SystemLabel Fe3GeTe2
MPI.Nprocs.SIESTA 20 # default value
SpinPolarized F # default value
NonCollinearSpin F # default value
SpinOrbit F # default value
#:block? SpinPolarized F
#:defined? SpinPolarized F
#:block? NonCollinearSpin F
#:defined? NonCollinearSpin F
#:block? SpinOrbit F
#:defined? SpinOrbit F
Spin spin-orbit
DebugObjects.Node 0 # default value
DebugObjects F # default value
XML.Write F # default value
timer_report_threshold 0.000000000 # default value
UseParallelTimer T # default value
UseTreeTimer F # default value
timing-split-scf-steps F # default value
alloc_report_level 0 # default value
alloc_report_threshold 0.000000000 # default value
xc.functional GGA
xc.authors PBE
MM.Cutoff 30.00000000 Bohr # default value
MM.UnitsEnergy eV # default value
MM.UnitsDistance Ang # default value
WriteIonPlotFiles F # default value
Atom.Debug.KB.Generation F # default value
KB.New.Reference.Orbitals F # default value
user-basis F # default value
user-basis-netcdf F # default value
#:block? DFTU.proj F
#:defined? DFTU.proj F
#:block? LDAU.proj F
#:defined? LDAU.proj F
Number_of_species 3
%block Chemical_species_label
1 26 Fe
2 32 Ge
3 52 Te
%endblock Chemical_species_label
ReparametrizePseudos F # default value
Restricted.Radial.Grid T # default value
Rmax.Radial.Grid 0.000000000 # default value
PAO.BasisSize standard # default value
PAO.BasisType split # default value
PAO.SoftDefault F # default value
PAO.SoftInnerRadius 0.9000000000 # default value
PAO.SoftPotential 40.00000000 # default value
PAO.SplitNorm 0.1500000000 # default value
PAO.SplitNormH -1.000000000 # default value
LDAU.ProjectorGenerationMethod 2 # default value
DFTU.ProjectorGenerationMethod 2 # default value
LDAU.EnergyShift 0.5000000000E-01 Ry # default value
DFTU.EnergyShift 0.5000000000E-01 Ry # default value
LDAU.CutoffNorm 0.9000000000 # default value
DFTU.CutoffNorm 0.9000000000 # default value
PAO.SoftDefault F # default value
PAO.SoftInnerRadius 0.9000000000 # default value
PAO.SoftPotential 40.00000000 # default value
LDAU.ThresholdTol 0.1000000000E-01 # default value
DFTU.ThresholdTol 0.1000000000E-01 # default value
LDAU.PopTol 0.1000000000E-02 # default value
DFTU.PopTol 0.1000000000E-02 # default value
LDAU.PotentialShift F # default value
DFTU.PotentialShift F # default value
LDAU.FirstIteration F # default value
DFTU.FirstIteration F # default value
FilterCutoff 0.000000000 Ry # default value
FilterTol 0.000000000 Ry # default value
keep-npotu-bug F # default value
spin-orbit-strength 1.000000000
KB.Rmax 6.000000000 Bohr # default value
PAO.EnergyShift 0.1000000000E-02 Ry
# above item originally: PAO.EnergyShift 0.1000000000E-02 Ry
PAO.SplitTailNorm F # default value
PAO.FixSplitTable F # default value
PAO.NewSplitCode F # default value
PAO.Filter F # default value
PAO.Keep.Findp.Bug F # default value
PAO.Filter F # default value
PAO.Filter F # default value
PAO.Filter F # default value
PAO.OldStylePolorbs T # default value
PAO.SplitTailNorm F # default value
PAO.FixSplitTable F # default value
PAO.NewSplitCode F # default value
PAO.Filter F # default value
Vna.Filter F # default value
PCC.Filter F # default value
FilterCutoff 0.000000000 Ry # default value
FilterTol 0.000000000 Ry # default value
keep-npotu-bug F # default value
spin-orbit-strength 1.000000000
KB.Rmax 6.000000000 Bohr # default value
PAO.EnergyShift 0.1000000000E-02 Ry
# above item originally: PAO.EnergyShift 0.1000000000E-02 Ry
PAO.SplitTailNorm F # default value
PAO.FixSplitTable F # default value
PAO.NewSplitCode F # default value
PAO.Filter F # default value
PAO.Filter F # default value
PAO.Filter F # default value
PAO.Filter F # default value
PAO.OldStylePolorbs T # default value
PAO.SplitTailNorm F # default value
PAO.FixSplitTable F # default value
PAO.NewSplitCode F # default value
PAO.Filter F # default value
Vna.Filter F # default value
FilterCutoff 0.000000000 Ry # default value
FilterTol 0.000000000 Ry # default value
keep-npotu-bug F # default value
spin-orbit-strength 1.000000000
KB.Rmax 6.000000000 Bohr # default value
PAO.EnergyShift 0.1000000000E-02 Ry
# above item originally: PAO.EnergyShift 0.1000000000E-02 Ry
PAO.SplitTailNorm F # default value
PAO.FixSplitTable F # default value
PAO.NewSplitCode F # default value
PAO.Filter F # default value
PAO.Filter F # default value
PAO.Filter F # default value
PAO.Filter F # default value
PAO.OldStylePolorbs T # default value
PAO.SplitTailNorm F # default value
PAO.FixSplitTable F # default value
PAO.NewSplitCode F # default value
PAO.Filter F # default value
Vna.Filter F # default value
PAO.BasisType split # default value
Atom-Setup-Only F # default value
UseStructFile F # default value
MD.UseStructFile F # default value
LatticeConstant 1.889726878 Bohr
# above item originally: LatticeConstant 1.000000000 Ang
#:block? LatticeParameters T
#:block? LatticeVectors F
%block LatticeParameters
3.791 3.791 20.57 90.0 90.0 120.0
%endblock LatticeParameters
AtomicCoordinatesFormat Fractional
NumberOfAtoms 6
#:block? AtomicCoordinatesOrigin F
#:defined? AtomicCoordinatesOrigin F
ZM.UnitsLength Bohr # default value
ZM.UnitsAngle rad # default value
ZM.ForceTolLength 0.1555740000E-02 Ry/Bohr # default value
ZM.ForceTolAngle 0.3565490000E-02 Ry/rad # default value
ZM.MaxDisplLength 0.2000000000 Bohr # default value
ZM.MaxDisplAngle 0.3000000000E-02 rad # default value
ZM.CalcAllForces F # default value
%block AtomicCoordinatesAndAtomicSpecies
0.66666667 0.33333333 0.62736262 3
0.66666667 0.33333333 0.37263738 3
0.33333333 0.66666667 0.5 2
0. 0. 0.56141409 1
0. 0. 0.43858591 1
0.66666667 0.33333333 0.5 1
%endblock AtomicCoordinatesAndAtomicSpecies
MD.UseSaveXV T
MD.UseSaveZM F # default value
WriteCoorInitial T # default value
MD.TypeOfRun CG
MD.TypeOfRun CG
MD.InitialTimeStep 1 # default value
MD.FinalTimeStep 1 # default value
MD.TypeOfRun CG
MaxBondDistance 6.000000000 Bohr # default value
Output-Structure-Only F # default value
WriteCoorXmol T
#:physical? MaxWalltime F
MaxWalltime 0.1797693135+309 # default value
#:physical? MaxWalltime.Slack F
MaxWalltime.Slack 5.000000000 # default value
HSetupOnly F # default value
LongOutput F # default value
WriteDenchar F # default value
WriteMullikenPop 1
WriteOrbMom T
WriteHirshfeldPop F # default value
WriteVoronoiPop F # default value
PartialChargesAtEveryGeometry F # default value
PartialChargesAtEveryScfStep F # default value
MeshCutoff 1000.000000 Ry
# above item originally: MeshCutoff 1000.000000 Ry
NetCharge 0.000000000 # default value
MinSCFIterations 0 # default value
MaxSCFIterations 1000
SCF.MustConverge T # default value
#:block? TS.MixH F
#:defined? TS.MixH F
#:block? MixHamiltonian F
#:defined? MixHamiltonian F
#:block? MixCharge F
#:defined? MixCharge F
TS.MixH T # default value
MixHamiltonian T # default value
MixCharge F # default value
SCF.Mix Hamiltonian
Compat-pre-v4-DM-H F # default value
SCF.MixAfterConvergence F # default value
SCF.Recompute-H-After-Scf F # default value
DM.NumberPulay 0 # default value
DM.NumberBroyden 0 # default value
DM.FIRE.Mixing F # default value
DM.MixSCF1 T # default value
SCF.Mix.First T # default value
SCF.Mix.First.Force F # default value
DM.PulayOnFile F # default value
DM.MixingWeight 0.2500000000 # default value
DM.OccupancyTolerance 0.1000000000E-11 # default value
DM.NumberKick 0 # default value
DM.KickMixingWeight 0.5000000000 # default value
DM.RequireHarrisConvergence F # default value
SCF.Harris.Converge F # default value
DM.HarrisTolerance 0.7349806700E-05 Ry # default value
SCF.Harris.Tolerance 0.7349806700E-05 Ry # default value
SCF.DM.Converge T # default value
DM.Tolerance 0.1000000000E-03 # default value
SCF.DM.Tolerance 0.1000000000E-04
SCF.EDM.Converge F # default value
SCF.EDM.Tolerance 0.7349806700E-04 Ry # default value
SCF.H.Converge T # default value
SCF.H.Tolerance 0.7349798845E-05 Ry
# above item originally: SCF.H.Tolerance 0.1000000000E-03 eV
DM.RequireEnergyConvergence F # default value
SCF.FreeE.Converge F # default value
DM.EnergyTolerance 0.7349806700E-05 Ry # default value
SCF.FreeE.Tolerance 0.7349806700E-05 Ry # default value
MonitorForcesInSCF F # default value
SCF.MonitorForces F # default value
UseSaveData F # default value
DM.UseSaveDM T
NeglNonOverlapInt F # default value
SolutionMethod diagon
ElectronicTemperature 0.6333564230E-06 Ry
# above item originally: ElectronicTemperature 0.1000000000 K
FixSpin F # default value
Spin.Fix F # default value
SOC.Split.SR.SO T # default value
ON.MaxNumIter 1000 # default value
ON.etol 0.1000000000E-07 # default value
ON.eta 0.000000000 Ry # default value
ON.eta_alpha 0.000000000 Ry # default value
ON.eta_beta 0.000000000 Ry # default value
On.RcLWF 9.500000000 Bohr # default value
ON.UseSaveLWF F # default value
ON.functional kim # default value
ON.ChemicalPotentialUse F # default value
ON.ChemicalPotential F # default value
ON.ChemicalPotentialRc 9.500000000 Bohr # default value
ON.ChemicalPotentialTemperature 0.5000000000E-01 Ry # default value
ON.ChemicalPotentialOrder 100 # default value
TDED.WF.Initialize F # default value
TDED.Saverho F # default value
TDED.Nsaverho 100 # default value
TDED.Write.Etot T # default value
TDED.Write.Eig F # default value
TDED.Write.Dipole F # default value
TDED.Extrapolate F # default value
TDED.TimeStep 0.1000000000E-02 fs # default value
TDED.Nsteps 1 # default value
TDED.Extrapolate.Substeps 3 # default value
TDED.Inverse.Linear T # default value
TDED.WF.Save F # default value
MD.VariableCell F
compat-pre-v4-dynamics F # default value
MD.TypeOfRun CG
MD.UseSaveCG T
Optim.Broyden F # default value
#:block? Optim.Broyden F
#:defined? Optim.Broyden F
MD.NumCGsteps 0 # default value
MD.Steps 1000
MD.MaxCGDispl 0.9448634389E-01 Bohr
# above item originally: MD.MaxCGDispl 0.5000000000E-01 Ang
MD.MaxDispl 0.9448634389E-01 Bohr # default value
MD.MaxForceTol 0.1944674385E-03 Ry/Bohr
# above item originally: MD.MaxForceTol 0.5000000000E-02 eV/Ang
MD.MaxStressTol 0.6797726840E-06 Ry/Bohr**3
# above item originally: MD.MaxStressTol 0.1000000000E-01 GPa
GeometryMustConverge F # default value
MD.InitialTimeStep 1 # default value
#:defined? MD.Steps T
MD.FinalTimeStep 1000 # default value
MD.LengthTimeStep 1.000000000 fs # default value
MD.Quench F # default value
MD.FireQuench F # default value
MD.InitialTemperature 0.000000000 K # default value
MD.TargetTemperature 0.000000000 K # default value
MD.TargetPressure 0.000000000 Ry/Bohr**3 # default value
MD.NoseMass 100.0000000 Ry*fs**2 # default value
MD.ParrinelloRahmanMass 100.0000000 Ry*fs**2 # default value
MD.AnnealOption TemperatureAndPressure # default value
MD.TauRelax 100.0000000 fs # default value
MD.BulkModulus 0.6797730000E-02 Ry/Bohr**3 # default value
MD.FCDispl 0.4000000000E-01 Bohr # default value
MD.FCfirst 1 # default value
MD.FClast 6 # default value
UseSpatialDecomposition F # default value
UseDomainDecomposition F # default value
SCF.Mix.Spin all
Mixer.Debug F # default value
Mixer.Debug.MPI F # default value
DM.NumberPulay 2 # default value
DM.NumberBroyden 0 # default value
DM.MixingWeight 0.2500000000 # default value
DM.NumberKick 0 # default value
DM.KickMixingWeight 0.5000000000 # default value
SCF.LinearMixingAfterPulay F # default value
SCF.MixingWeightAfterPulay 0.2500000000 # default value
SCF.Mixer.History 6
SCF.Mixer.Weight 0.1000000000
SCF.Mixer.Kick 20
SCF.Mixer.Kick.Weight 0.5000000000 # default value
SCF.Mixer.Restart 0 # default value
SCF.Mixer.Restart.Save 1 # default value
SCF.Mixer.Method Pulay
SCF.Mixer.Variant original # default value
SCF.Mixer.Linear.After -1 # default value
SCF.Mixer.Linear.After.Weight 0.2500000000 # default value
#:block? ChargeGeometries F
#:defined? ChargeGeometries F
#:block? ChargeGeometries F
#:defined? ChargeGeometries F
Harris_functional F # default value
ForceAuxCell F # default value
#:block? Optim.Broyden.History.Steps F
#:defined? Optim.Broyden.History.Steps F
#:block? Optim.Broyden.Cycle.On.Maxit F
#:defined? Optim.Broyden.Cycle.On.Maxit F
#:block? Optim.Broyden.Variable.Weight F
#:defined? Optim.Broyden.Variable.Weight F
#:block? Optim.Broyden.Debug F
#:defined? Optim.Broyden.Debug F
#:block? Optim.Broyden.Initial.Inverse.Jacobian F
#:defined? Optim.Broyden.Initial.Inverse.Jacobian F
Write.Kpoints F # default value
Write.Forces T
Write.DM T # default value
Write.DM.End.Of.Cycle T # default value
Write.H F # default value
Write.H.End.Of.Cycle F # default value
Write.DM.NetCDF T
WriteDM.History.NetCDF F # default value
WriteDMHS.NetCDF T
WriteDMHS.History.NetCDF F # default value
SCF.Read.Charge.NetCDF F # default value
SCF.Read.Deformation.Charge.NetCDF F # default value
Write.TSHS.History F # default value
SaveInitialChargeDensity F # default value
AnalyzeChargeDensityOnly F # default value
UseNewDiagk F # default value
Diag.WFS.Cache none # default value
WriteBands F # default value
WriteKbands F # default value
WriteEigenvalues T
WriteCoorStep T
WriteMDhistory F # default value
WriteMDXmol F # default value
WriteOrbitalIndex T # default value
Write.Graphviz none # default value
WriteCoorStep T
SaveHS T
ReInitialiseDM T # default value
DM.AllowReuse T # default value
DM.AllowExtrapolation T # default value
DM.History.Depth 1 # default value
DM.NormalizationTolerance 0.1000000000E-04 # default value
DM.NormalizeDuringSCF T # default value
MullikenInSCF F # default value
SpinInSCF T # default value
WarningMinimumAtomicDistance 1.000000000 Bohr # default value
BornCharge F # default value
ChangeKgridInMD F # default value
MD.RelaxCellOnly F # default value
MD.RemoveIntraMolecularPressure F # default value
COOP.Write F # default value
SaveRho F # default value
SaveDeltaRho F # default value
SaveRhoXC F # default value
SaveElectrostaticPotential F # default value
SaveNeutralAtomPotential F # default value
SaveTotalPotential F # default value
SaveIonicCharge F # default value
SaveBaderCharge F # default value
SaveTotalCharge F # default value
Siesta2Wannier90.WriteMmn F # default value
Siesta2Wannier90.WriteUnk F # default value
Siesta2Wannier90.WriteAmn F # default value
Siesta2Wannier90.WriteEig F # default value
#:block? Siesta2Wannier90.NumberOfBandsUp F
#:defined? Siesta2Wannier90.NumberOfBandsUp F
#:block? Siesta2Wannier90.NumberOfBandsDown F
#:defined? Siesta2Wannier90.NumberOfBandsDown F
#:block? Siesta2Wannier90.NumberOfBands F
#:defined? Siesta2Wannier90.NumberOfBands F
Siesta2Wannier90.NumberOfBandsUp 0 # default value
Siesta2Wannier90.NumberOfBandsDown 0 # default value
Siesta2Wannier90.NumberOfBands 0 # default value
CDF.Save T
CDF.Compress 0 # default value
CDF.MPI F # default value
CDF.Read.Parallel F # default value
DM.AllowReuse T # default value
DM.AllowExtrapolation T # default value
DM.AllowExtrapolation F # default value
NumberOfEigenStates 84 # default value
RcSpatial 0.000000000 Bohr # default value
ProcessorGridX 1 # default value
ProcessorGridY 1 # default value
ProcessorGridZ 1 # default value
FFT.ProcessorY.traditional F # default value
processorY 2 # default value
blocksize 4 # default value
Spin.Spiral F # default value
TimeReversalSymmetryForKpoints F # default value
%block kgrid.MonkhorstPack
20 0 0 0
0 20 0 0
0 0 1 0
%endblock kgrid.MonkhorstPack
#:block? ProjectedDensityOfStates F
#:block? LocalDensityOfStates F
Diag.ParallelOverK T
Diag.ProcessorY 4 # default value
Diag.BlockSize 4 # default value
Diag.Use2D T # default value
Diag.UpperLower lower # default value
Diag.DivideAndConquer T # default value
Diag.NoExpert F # default value
Diag.Algorithm Divide-and-Conquer # default value
Diag.AbsTol 0.1000000000E-15 # default value
Diag.OrFac 0.1000000000E-05 # default value
Diag.Memory 1.000000000 # default value
#:block? BandLines F
#:defined? BandLines F
#:block? BandPoints F
#:defined? BandPoints F
LongOutput F # default value
WriteWaveFunctions F # default value
#:block-line-count? MetaForce (iirrr) 0
#:block? TS.BufferAtomsLeft F
#:defined? TS.BufferAtomsLeft F
#:block? TS.BufferAtomsRight F
#:defined? TS.BufferAtomsRight F
#:list? TS.Atoms.Buffer F
TS.HS.Save F # default value
TS.DE.Save F # default value
TS.onlyS F # default value
TS.S.Save F # default value
Spin.Spiral F # default value
TimeReversalSymmetryForKpoints F # default value
#:list? TS.kgrid.MonkhorstPack F
#:block? TS.kgrid.Cutoff F
#:defined? TS.kgrid.Cutoff F
#:block? TS.kgrid.File F
#:defined? TS.kgrid.File F
LUA.Interactive F # default value
LUA.Script # default value
AtomicCoordinatesFormat Fractional
AtomCoorFormatOut Fractional # default value
LatticeConstant 1.889726878 Bohr
# above item originally: LatticeConstant 1.000000000 Ang
debug-folding F # default value
Save.Overlap.Gradient F # default value
Sonly F # default value
File.DM.Init Fe3GeTe2.DM # default value
DM.Init atomic # default value
%block DM.InitSpin
4 +
5 +
6 +
%endblock DM.InitSpin
DM.Init.RandomStates 0 # default value
Sonly F # default value
Debug.DHSCF F # default value
MeshSubDivisions 2 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
DirectPhi F # default value
SimulateDoping F # default value
Slab.DipoleCorrection none # default value
timing-split-scf-steps F # default value
Read-H-from-file F # default value
SingleExcitation F # default value
OccupationFunction FD # default value
OccupationFunction FD # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
compute-forces T # default value
#:list? Grid.CellSampling T
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
debug-folding F # default value
Save.Overlap.Gradient F # default value
Sonly F # default value
UseDIISforDMExtrapolation T # default value
UseSVDExperimental F # default value
UseSVD T # default value
Sonly F # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
timing-split-scf-steps F # default value
Read-H-from-file F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
compute-forces T # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
debug-folding F # default value
Save.Overlap.Gradient F # default value
Sonly F # default value
UseDIISforDMExtrapolation T # default value
UseSVDExperimental F # default value
UseSVD T # default value
Sonly F # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
timing-split-scf-steps F # default value
Read-H-from-file F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
compute-forces T # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
debug-folding F # default value
Save.Overlap.Gradient F # default value
Sonly F # default value
UseDIISforDMExtrapolation T # default value
UseSVDExperimental F # default value
UseSVD T # default value
Sonly F # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
timing-split-scf-steps F # default value
Read-H-from-file F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
compute-forces T # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
debug-folding F # default value
Save.Overlap.Gradient F # default value
Sonly F # default value
UseDIISforDMExtrapolation T # default value
UseSVDExperimental F # default value
UseSVD T # default value
Sonly F # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
timing-split-scf-steps F # default value
Read-H-from-file F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
compute-forces T # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
debug-folding F # default value
Save.Overlap.Gradient F # default value
Sonly F # default value
UseDIISforDMExtrapolation T # default value
UseSVDExperimental F # default value
UseSVD T # default value
Sonly F # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
timing-split-scf-steps F # default value
Read-H-from-file F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
compute-forces T # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
debug-folding F # default value
Save.Overlap.Gradient F # default value
Sonly F # default value
UseDIISforDMExtrapolation T # default value
UseSVDExperimental F # default value
UseSVD T # default value
Sonly F # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
timing-split-scf-steps F # default value
Read-H-from-file F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
compute-forces T # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
debug-folding F # default value
Save.Overlap.Gradient F # default value
Sonly F # default value
UseDIISforDMExtrapolation T # default value
UseSVDExperimental F # default value
UseSVD T # default value
Sonly F # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
timing-split-scf-steps F # default value
Read-H-from-file F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
compute-forces T # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
debug-folding F # default value
Save.Overlap.Gradient F # default value
Sonly F # default value
UseDIISforDMExtrapolation T # default value
UseSVDExperimental F # default value
UseSVD T # default value
Sonly F # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
timing-split-scf-steps F # default value
Read-H-from-file F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
compute-forces T # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
debug-folding F # default value
Save.Overlap.Gradient F # default value
Sonly F # default value
UseDIISforDMExtrapolation T # default value
UseSVDExperimental F # default value
UseSVD T # default value
Sonly F # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
timing-split-scf-steps F # default value
Read-H-from-file F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
timing-split-scf-steps F # default value
compute-forces T # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
#:list? Mesh.Sizes F
#:block? MeshSizes F
#:defined? MeshSizes F
XC.Use.BSC.CellXC F # default value
PROCS_PER_NODE 4 # default value
PROCS_PER_NODE 4 # default value
Read-H-from-file F # default value
WriteCoorXmol T
WriteCoorCerius F # default value
BasisPressure 0.2000000000 GPa # default value
OpticalCalculation F # default value
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