Navigation :
Manual
Input Variables
-
Atomic Orbitals
-
Calculation Modes
-
ClassicalParticles
-
DFTBPlusInterface
-
Execution
-
Hamiltonian
--
DFT+U
--
PCM
--
Poisson
---
Multigrid
---
PSolver
--- DressedOrbitals
--- Poisson1DSoftCoulombParam
--- PoissonCutoffRadius
--- PoissonFFTKernel
--- PoissonSolver
--- PoissonSolverBoundaries
--- PoissonSolverMaxIter
--- PoissonSolverMaxMultipole
--- PoissonSolverNodes
--- PoissonSolverThreshold
--- PoissonTestPeriodicThreshold
--
XC
-- AdaptivelyCompressedExchange
-- CalculateDiamagneticCurrent
-- CalculateSelfInducedMagneticField
-- CurrentDensity
-- EnablePhotons
-- EwaldAlpha
-- FilterPotentials
-- ForceTotalEnforce
-- GaugeFieldDelay
-- GaugeFieldDynamics
-- GaugeFieldPropagate
-- GaugeVectorField
-- GyromagneticRatio
-- MagneticConstrain
-- MagneticConstrainStrength
-- MaxwellCouplingMode
-- MaxwellDipoleField
-- MultipolarExpansionTerms
-- NDSFATimeIntegrationStep
-- ParticleMass
-- PauliHamiltonianTerms
-- RashbaSpinOrbitCoupling
-- RelativisticCorrection
-- SOStrength
-- StaticElectricField
-- StaticMagneticField
-- StaticMagneticField2DGauge
-- TheoryLevel
-- TimeZero
-
Linear Response
-
Math
-
Maxwell
-
Mesh
-
Output
-
SCF
-
States
-
System
-
Time-Dependent
-
Utilities
-
Alphabetic Index
Tutorials
Developers
Releases
PoissonTestPeriodicThreshold
PoissonTestPeriodicThreshold
Section Hamiltonian::Poisson
Type float
Default 1e-5
This threshold determines the accuracy of the periodic copies of
the Gaussian charge distribution that are taken into account when
computing the analytical solution for periodic systems.
Be aware that the default leads to good results for systems
that are periodic in 1D - for 3D it is very costly because of the
large number of copies needed.
Source information
poisson/poisson.F90 : 1044
call parse_variable ( namespace , 'PoissonTestPeriodicThreshold' , 1e-5_real64 , threshold )