MIXER

mixer section [Edit on GitHub]

Keywords

• BETA

• BETA0

• BETA_SCALING_FACTOR

• MAX_HISTORY

• RMS_MIN

• TYPE

• USE_HARTREE

Keyword descriptions

BETA

Type: real
Default: 7.00000000E-001

Description: Mixing parameter [Edit on GitHub]

BETA0

Type: real
Default: 1.50000000E-001

Description: For Anderson mixer only: minimum allowed value of mixing parameter beta [Edit on GitHub]

BETA_SCALING_FACTOR

Type: real
Default: 1.00000000E+000

Description: For Anderson mixer only: scaling factor for mixing parameter beta [Edit on GitHub]

MAX_HISTORY

Type: integer
Default: 8

Description: Number of history steps for Broyden-type mixers [Edit on GitHub]

RMS_MIN

Type: real
Default: 1.00000000E-016

Description: Minimum value of allowed RMS for the mixer. [Edit on GitHub]

TYPE

Type: enum
Default: LINEAR

Description: Type of the mixer. [Edit on GitHub]

Valid values:

• LINEAR

• ANDERSON

• ANDERSON_STABLE

• BROYDEN2

USE_HARTREE

Type: logical
Default: F
Lone keyword: T

Description: Use Hartree potential in the inner() product for residuals [Edit on GitHub]