MIXER

mixer section [Edit on GitHub]

Keywords

• BETA

• BETA0

• BETA_SCALING_FACTOR

• LINEAR_MIX_RMS_TOL

• MAX_HISTORY

• TYPE

• USE_HARTREE

Keyword descriptions

BETA: real = 7.00000000E-001

Mixing parameter [Edit on GitHub]

BETA0: real = 1.50000000E-001

Mixing ratio in case of initial linear mixing [Edit on GitHub]

BETA_SCALING_FACTOR: real = 1.00000000E+000

Scaling factor for mixing parameter [Edit on GitHub]

LINEAR_MIX_RMS_TOL: real = 1.00000000E+006

RMS tolerance above which the linear mixing is triggered [Edit on GitHub]

MAX_HISTORY: integer = 8

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

TYPE: enum = LINEAR

Valid values:

• LINEAR

• ANDERSON

• ANDERSON_STABLE

• BROYDEN2

Type of the mixer. [Edit on GitHub]

USE_HARTREE: logical = F

Lone keyword: T

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