Navigation :
Manual
Input Variables
-
Atomic Orbitals
-
Calculation Modes
--
Geometry Optimization
--
Invert KS
--- InvertKSConvAbsDens
--- InvertKSGodbyMu
--- InvertKSGodbyPower
--- InvertKSMaxIter
--- InvertKSmethod
--- InvertKSStellaAlpha
--- InvertKSStellaBeta
--- InvertKSTargetDensity
--- InvertKSVerbosity
--- KSInversionAsymptotics
--- KSInversionLevel
--
Optimal Control
--
Test
--
Unoccupied States
-- CalculationMode
-
ClassicalParticles
-
DFTBPlusInterface
-
Execution
-
Hamiltonian
-
Linear Response
-
Math
-
Maxwell
-
MaxwellStates
-
Mesh
-
Output
-
SCF
-
States
-
System
-
Time-Dependent
-
Utilities
-
Alphabetic Index
Tutorials
Developers
Releases
InvertKSConvAbsDens
InvertKSConvAbsDens
Section Calculation Modes::Invert KS
Type float
Default 1e-5
Absolute difference between the calculated and the target density in the KS
inversion. Has to be larger than the convergence of the density in the SCF run.