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LCAO
--- AtomsMagnetDirection
--- GuessMagnetDensity
--- LCAOAlternative
--- LCAOComplexYlms
--- LCAODiagTol
--- LCAODimension
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--- LCAOStart
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LCAOComplexYlms
LCAOComplexYlms
Section SCF::LCAO
Type logical
Default false
If set to true, and using complex states, complex spherical harmonics will be used, i.e.
with e ± i m ϕ e^{\pm i m \phi} e ± i m ϕ .
If false, real spherical harmonics with sin ( m ϕ ) \sin(m \phi) sin ( m ϕ ) or cos ( m ϕ ) \cos(m \phi) cos ( m ϕ ) are used.
This variable will make it more likely to get states that are eigenvectors of the L z L_z L z
operator, with a definite angular momentum.
Source information
scf/lcao.F90 : 260
call parse_variable ( namespace , 'LCAOComplexYlms' , . false ., this % complex_ylms )