# OPTIMIZATION

Section of information on optimization thresholds and algorithms. [Edit on GitHub]

## Keywords

- DAMPING

- EPS_DIIS

- EPS_SCF

- MAX_ITER

- N_DIIS

## Keyword descriptions

DAMPING: real = 4.00000000E-001

  Usage: DAMPING 0.4

  Damping parameter for extrapolation method [Edit on GitHub]

EPS_DIIS: real = 1.00000000E+004

  Usage: EPS_DIIS 0.01

  Starting DIIS method at convergence to EPS_DIIS [Edit on GitHub]

EPS_SCF: real = 1.00000000E-006

  Usage: EPS_SCF 1.e-10

  Convergence criterion for SCF [Edit on GitHub]

MAX_ITER: integer = 200

  Usage: MAX_ITER 50

  Maximum number of iterations for optimization [Edit on GitHub]

N_DIIS: integer = 5

  Usage: N_DIIS 6

  Maximum number of DIIS vectors [Edit on GitHub]