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InvertKSmethod
InvertKSmethod
Section Calculation Modes::Invert KS
Type integer
Default iter_godby
Selects whether the exact two-particle method or the iterative scheme
is used to invert the density to get the KS potential.
Options:
- two_particle:
Exact two-particle scheme.
- iterative:
Iterative scheme for $v_s$.
- iter_stella:
Iterative scheme for $v_s$ using Stella and Verstraete method.
- iter_godby:
Iterative scheme for $v_s$ using power method from Rex Godby.
Source information
xc/xc_ks_inversion.F90 : 145
call parse_variable(namespace, 'InvertKSmethod', XC_INV_METHOD_ITER_GODBY, ks_inv%method)