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Geometry Optimization
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Invert KS
--- InvertKSConvAbsDens
--- InvertKSGodbyMu
--- InvertKSGodbyPower
--- InvertKSMaxIter
--- InvertKSmethod
--- InvertKSStellaAlpha
--- InvertKSStellaBeta
--- InvertKSTargetDensity
--- InvertKSVerbosity
--- KSInversionAsymptotics
--- KSInversionLevel
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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.
Source information
xc/xc_ks_inversion.F90 : 590
call parse_variable ( namespace , 'InvertKSConvAbsDens' , 1e-5_real64 , convdensity )