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DensityCorrection
---- XCDensityCorrection
---- XCDensityCorrectionCutoff
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---- XCDensityCorrectionNormalize
---- XCDensityCorrectionOptimize
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XCDensityCorrectionMinimum
XCDensityCorrectionMinimum
Section Hamiltonian::XC::DensityCorrection
Type logical
Default true
When enabled, the cutoff optimization will
return the first minimum of the $q_{xc}$ function if it does
not find a value of -1 (details ).
This is required for atoms or small
molecules, but may cause numerical problems.
Source information
hamiltonian/xc.F90 : 349
call parse_variable ( namespace , 'XCDensityCorrectionMinimum' , . true ., xcs % xcd_minimum )