Navigation : Manual Input Variables - Atomic Orbitals - Calculation Modes - ClassicalParticles - DFTBPlusInterface - Execution - Hamiltonian - Linear Response - Math - Maxwell - Mesh - Output - SCF -- Convergence -- Eigensolver -- LCAO -- Mixing -- RDMFT -- SCFCalculateDipole -- SCFCalculateForces -- SCFCalculatePartialCharges -- SCFCalculateStress -- SCFinLCAO - States - System - Time-Dependent - Utilities - Alphabetic Index Tutorials Developers Releases SCFinLCAO A - B - C - D - E - F - G - H - I - K - L - M - N - O - P - Q - R - S - T - U - V - W - X SCFinLCAO Section SCF Type logical Default no Performs the SCF cycle with the calculation restricted to the LCAO subspace. This may be useful for systems with convergence problems (first do a calculation within the LCAO subspace, then restart from that point for an unrestricted calculation). Source information scf/scf.F90 : 338 call parse_variable(namespace, 'SCFinLCAO', .false., scf%lcao_restricted) Featured in chapters of the manual: Calculations/Ground_State Featured in testfiles finite_systems_3d/16-scfinlcao_std.01-gs.inp finite_systems_3d/17-scfinlcao_alt.01-gs.inp