Variables
From OctopusWiki
This table represents the list of input variables in octopus, and the status of their documentation. Note that the "alphabetical" order is not 100% alphabetical. You can change it, of course ;)
| name | Documented | Checked | Comments |
| ABHeight | X | ||
| ABWidth | X | ||
| AbsorbingBoundaries | X | ||
| AnimationSampling | |||
| AtomsMagnetDirection | X | ||
| AxisType | X | ||
| BoxOffset | X | ||
| BoxShape | X | ||
| CFunctional | X | ||
| CalcPES_Mask | X | Commented | |
| CalcPES_rc | X | Commented | |
| CalculationMode | X | ||
| CenterOfInversion | X | ||
| ClassicPotential | X | ||
| ConvAbsDens | X | ||
| ConvAbsEv | X | ||
| ConvRelDens | X | ||
| ConvRelEv | X | ||
| Coordinates | X | ||
| CurrentDFT | |||
| CurvBriggsBeta | |||
| CurvGygiA | X | ||
| CurvGygiAlpha | X | ||
| CurvGygiBeta | X | ||
| CurvMethod | X | ||
| CurvModineJBar | |||
| CurvModineJlocal | |||
| CurvModineJrange | |||
| CurvModineXBar | |||
| DebugLevel | X | ||
| DerivativesBoundaries | |||
| DerivativesLaplacianFilter | |||
| DerivativesOrder | |||
| DerivativesSpace | X | ||
| DerivativesStencil | X | ||
| DielectricConstRatio | |||
| Dimensions | X | ||
| Displacement | X | ||
| DoubleFFTParameter | X | ||
| EigenSolver | X | ||
| EigenSolverArnoldiVectors | X | ||
| EigenSolverFinalTolerance | X | ||
| EigenSolverFinalToleranceIteration | X | ||
| EigenSolverImaginaryTime | |||
| EigenSolverInitTolerance | X | ||
| EigenSolverMaxIter | X | ||
| ElectronicTemperature | X | ||
| ExcessCharge | X | ||
| ExtraStates | X | ||
| FFTOptimize | X | ||
| FilterPotentials | |||
| FlushMessages | X | ||
| fromScratch | |||
| GOMaxIter | X | ||
| GOMethod | X | ||
| GOStep | X | ||
| GOTolerance | X | ||
| GuessMagnetDensity | X | ||
| GyromagneticRatio | |||
| HarmonicSpectrumMode | X | ||
| HarmonicSpectrumPolarization | X | ||
| JFunctional | |||
| KineticCutoff | |||
| LB94_modified | |||
| LB94_threshold | |||
| LCAOStart | X | ||
| LinBroadening | |||
| LinCasida | |||
| LinEigenvalues | |||
| LinEnergyStep | |||
| LinMaxEnergy | |||
| LinMinEnergy | |||
| LinPetersilka | |||
| LinearResponseKohnShamStates | X | ||
| LocalMagneticMomentsSphereRadius | |||
| lsize | X | ||
| MGGAimplementation | |||
| MPIDebugHook | |||
| MainAxis | |||
| MakeStates | |||
| MaximumIter | X | ||
| MeshAlpha1 | |||
| MeshAlpha2 | |||
| MeshCenter | |||
| MeshMax | |||
| MeshMin | |||
| MeshNPoints | |||
| MeshType | |||
| MixNumberSteps | X | ||
| Mixing | X | ||
| MoveIons | X | ||
| MultigridLevels | X | ||
| NonInteractingElectrons | X | ||
| NumberKPoints | X | ||
| NumberUnoccStates | X | ||
| ODESolver | X | ||
| ODESolverNSteps | X | ||
| OEP_level | X | ||
| OEP_mixing | |||
| Occupations | X | ||
| OptControlAlpha | should be commented | ||
| OptControlEps | should be commented | ||
| OptControlInitLaser | should be commented | ||
| OptControlMaxIter | should be commented | ||
| OutputAxisX | X | I want to change the "outputXXX" to flags | |
| OutputAxisY | X | I want to change the "outputXXX" to flags | |
| OutputAxisZ | X | I want to change the "outputXXX" to flags | |
| OutputDX | X | I want to change the "outputXXX" to flags | |
| OutputDensity | X | I want to change the "outputXXX" to flags | |
| OutputDuringSCF | |||
| OutputELF | X | I want to change the "outputXXX" to flags | |
| OutputELF_FS | I want to change the "outputXXX" to flags | ||
| OutputEvery | X | ||
| OutputGeometry | X | I want to change the "outputXXX" to flags | |
| OutputGnuplotMode | X | I want to change the "outputXXX" to flags | |
| OutputKSPotential | X | I want to change the "outputXXX" to flags | |
| OutputMeshIndex | X | I want to change the "outputXXX" to flags | |
| OutputBandsMode | X | ||
| OutputNETCDF | X | I want to change the "outputXXX" to flags | |
| OutputPlaneX | X | I want to change the "outputXXX" to flags | |
| OutputPlaneY | X | I want to change the "outputXXX" to flags | |
| OutputPlaneZ | X | I want to change the "outputXXX" to flags | |
| OutputWfs | X | I want to change the "outputXXX" to flags | |
| OutputWfsNumber | X | ||
| OutputWfsSqMod | X | ||
| PDBCoordinates | X | ||
| PES_rc_points | X | commented | |
| ParallelizationGroupRanks | X | ||
| ParallelizationStrategy | X | ||
| PeriodicDimensions | X | ||
| PoissonSolver | X | ||
| PoissonSolverMGMaxCycles | X | ||
| PoissonSolverMGPostsmoothingSteps | X | ||
| PoissonSolverMGPresmoothingSteps | X | ||
| PoissonSolverMGRelaxationFactor | X | ||
| PoissonSolverMGRelaxationMethod | X | ||
| PoissonSolverMGRestrictionMethod | X | ||
| PoissonSolverMaxMultipole | X | ||
| PoissonSolverThreshold | X | ||
| POLStaticField | X | ||
| ProfilingMode | X | ||
| radius | X | ||
| RandomVelocityTemp | X | ||
| RelativisticCorrection | X | ||
| RestartFileFormat | |||
| RootSolver | X | ||
| RootSolverAbsTolerance | X | ||
| RootSolverHavePolynomial | X | ||
| RootSolverMaxIter | X | ||
| RootSolverRelTolerance | X | ||
| SCFinLCAO | X | ||
| SICorrection | X | ||
| ShiftKPoints | X | ||
| spacing | X | ||
| SparskitAbsTolerance | X | ||
| SparskitKrylovSubspaceSize | X | ||
| SparskitMaxIter | X | ||
| SparskitPreconditioning | X | ||
| SparskitRelTolerance | X | ||
| SparskitSolver | X | ||
| SpecDampFactor | X | ||
| SpecDampMode | X | ||
| SpecEndTime | X | ||
| SpecEnergyStep | X | ||
| SpecMaxEnergy | X | ||
| SpecStartTime | X | ||
| Species | X | ||
| SpinComponents | X | ||
| stderr | X | ||
| stdout | X | ||
| StaticElectricField | |||
| StaticMagneticField | |||
| SystemName | X | ||
| TDDeltaStrength | X | ||
| TDDeltaStrengthMode | X | ||
| TDDipoleLmax | X | ||
| TDEvolutionMethod | X | ||
| TDExpOrder | X | ||
| TDExponentialMethod | X | ||
| TDFastEpotGeneration | |||
| TDGauge | X | ||
| TDLanczosTol | X | ||
| TDLasers | X | ||
| TDMaximumIter | X | ||
| TDOutputAcceleration | X | ||
| TDOutputAngularMomentum | |||
| TDOutputCoordinates | X | ||
| TDOutputElEnergy | X | ||
| TDOutputGSProjection | X | ||
| TDOutputLaser | X | ||
| TDOutputLocalMagneticMoments | |||
| TDOutputMultipoles | X | ||
| TDOutputOccAnalysis | X | ||
| TDOutputSpin | |||
| TDPolarization | X | ||
| TDPolarizationDirection | |||
| TDPolarizationEquivAxis | |||
| TDPolarizationWprime | |||
| TDTimeStep | X | ||
| TypeOfMixing | X | ||
| Units | X | ||
| UnitsInput | X | ||
| UnitsOutput | X | ||
| VlocalCutoff | X | ||
| VlocalCutoffRadius | X | ||
| Velocities | X | ||
| WatterstromODESolver | X | ||
| WatterstromODESolverNSteps | X | ||
| What2Mix | X | ||
| WorkDir | X | ||
| WriteMatrixElements | X | ||
| XFunctional | X | ||
| xlength | X | ||
| XYZCoordinates | X | ||
| Xalpha |
