# OPTIMIZE_LRI_BASIS

This section specifies the parameters for optimizing the lri auxiliary basis sets for LRIGPW. The Powell optimizer is used. [Edit on GitHub]

Subsections

- CONSTRAIN_EXPONENTS

## Keywords

- ACCURACY

- CONDITION_WEIGHT

- DEGREES_OF_FREEDOM

- GEOMETRIC_SEQUENCE

- MAX_FUN

- STEP_SIZE

- USE_CONDITION_NUMBER

## Keyword descriptions

ACCURACY: real = 1.00000000E-005

  Usage: ACCURACY 5.0E-4

  Target accuracy for the objective function (RHOEND) [Edit on GitHub]

CONDITION_WEIGHT: real = 1.00000000E-006

  Usage: CONDITION_WEIGHT 1.0E-4

  This keyword allows to give different weight factors to the condition number (LOG(cond) is used). [Edit on GitHub]

DEGREES_OF_FREEDOM: enum = EXPONENTS

  Usage: DEGREES_OF_FREEDOM ALL

  Valid values:

  - `ALL` Set all parameters in the basis to be variable.

  - `COEFFICIENTS` Set all coefficients in the basis set to be variable.

  - `EXPONENTS` Set all exponents in the basis to be variable.

  Specifies the degrees of freedom in the basis optimization. [Edit on GitHub]

GEOMETRIC_SEQUENCE: logical = F

  Lone keyword: `T`

  Usage: GEOMETRIC_SEQUENCE

  Exponents are assumed to be a geometric sequence. Only the minimal and maximal exponents of one set are optimized and the other exponents are obtained by geometric progression. [Edit on GitHub]

MAX_FUN: integer = 4000

  Usage: MAX_FUN 200

  Maximum number of function evaluations [Edit on GitHub]

STEP_SIZE: real = 5.00000000E-002

  Usage: STEP_SIZE 1.0E-1

  Initial step size for search algorithm (RHOBEG) [Edit on GitHub]

USE_CONDITION_NUMBER: logical = F

  Lone keyword: `T`

  Usage: USE_CONDITION_NUMBER

  Determines whether condition number should be part of optimization or not [Edit on GitHub]