- DEBUG (PLUGIN_OMEGA)
The amount of information printed to the output file
- Type: integer
- Default: 0
- DFT_FUNCTIONAL (PLUGIN_OMEGA)
The Omega functional selected for this procedure
- Type: string
- Default: No Default
- OMEGA_BRACKET_ALPHA (PLUGIN_OMEGA)
Multiplier to use to backet omega (>1)
- Type: double
- Default: 2.0
- OMEGA_CONVERGE (PLUGIN_OMEGA)
Convergence threshold for omega, 10^-thresh. See the note at the beginning of Section ref{keywords}.
- Type: conv double
- Default: 1e-3
- OMEGA_GUESS (PLUGIN_OMEGA)
Procedure used to guess initial omega
- Type: string
- Possible Values: HOMO_SIZE, DEFAULT
- Default: HOMO_SIZE
- OMEGA_GUESS_A (PLUGIN_OMEGA)
a in w_0^-1 = a <R>_HOMO + b
- Type: double
- Default: 2.0
- OMEGA_GUESS_B (PLUGIN_OMEGA)
b in w_0^-1 = a <R>_HOMO + b
- Type: double
- Default: 0.0
- OMEGA_GUESS_INTERPOLATE (PLUGIN_OMEGA)
Interpolate Fock matrices at omega steps?
- Type: boolean
- Default: true
- OMEGA_MAXITER (PLUGIN_OMEGA)
Maximum number of omega iterations to perform
- Type: integer
- Default: 30
- OMEGA_PROCEDURE (PLUGIN_OMEGA)
The Omega optimization procedure
- Type: string
- Possible Values: IP
- Default: IP
- OMEGA_ROOT_ALGORITHM (PLUGIN_OMEGA)
The Omega optimization root-finding algorithm
- Type: string
- Possible Values: BISECTION, REGULA_FALSI, REGULA_FALSI2, REGULA_FALSI3, BRENT
- Default: REGULA_FALSI3
- PRINT (PLUGIN_OMEGA)
The amount of information printed to the output file
- Type: integer
- Default: 1