Navigation :
Manual
Input Variables
-
Atomic Orbitals
-
Calculation Modes
-
ClassicalParticles
-
DFTBPlusInterface
-
Execution
-
Hamiltonian
-
Linear Response
-
Math
-
Maxwell
-
Mesh
-
Output
-
SCF
--
Convergence
--
Eigensolver
--- CGAdditionalTerms
--- CGDirection
--- CGEnergyChangeThreshold
--- CGOrthogonalizeAll
--- ChebyshevFilterBoundMixing
--- ChebyshevFilterDegree
--- ChebyshevFilterLanczosOrder
--- ChebyshevFilterNIter
--- Eigensolver
--- EigensolverImaginaryTime
--- EigensolverMaxIter
--- EigensolverMinimizationIter
--- EigensolverTolerance
--- OptimizeChebyshevFilterDegree
--- Preconditioner
--- PreconditionerFilterFactor
--- PreconditionerIterationsMiddle
--- PreconditionerIterationsPost
--- PreconditionerIterationsPre
--- StatesOrthogonalization
--- SubspaceDiagonalization
--
LCAO
--
Mixing
--
RDMFT
-- GroundStateAlgorithm
-- SCFCalculateDipole
-- SCFCalculateForces
-- SCFCalculatePartialCharges
-- SCFCalculateStress
-- SCFinLCAO
-
States
-
System
-
Time-Dependent
-
Utilities
-
Alphabetic Index
Tutorials
Developers
Releases
ChebyshevFilterLanczosOrder
ChebyshevFilterLanczosOrder
Section SCF::Eigensolver
Type integer
Default 5
Used by the Chebyshev filter only.
The number of Lanczos iterations used to construct the tridiagonal matrix,
from which the upper bound of H is estimated.
A value in the range 4 <= ChebyshevFilterLanczosOrder <= 10 is reasonable.
Values greater than 10 will raise an assertion.
Source information
electrons/eigensolver.F90 : 311
call parse_variable ( namespace , 'ChebyshevFilterLanczosOrder' , default_chebyshev_params % n_lanczos , eigens % cheby_params % n_lanczos )
Featured in chapters of the manual: