# OPT_DMFET

This section specifies optional parameters for DMFET matrix potential optimization. [Edit on GitHub]

## Keywords

- BETA_DM_CONV_INT

- BETA_DM_CONV_MAX

- DMFET_RESTART_FILE_NAME

- DM_CONV_INT

- DM_CONV_MAX

- N_ITER

- READ_DMFET_POT

- TRUST_RAD

## Keyword descriptions

BETA_DM_CONV_INT: real = 1.00000000E-001

  Usage: BETA_DM_CONV_INT 0.1

  Convergence criterion for the total beta-spin density matrix difference. [Edit on GitHub]

BETA_DM_CONV_MAX: real = 1.00000000E-002

  Usage: BETA_DM_CONV_MAX 0.01

  Convergence criterion for the maximum element of the beta-spin density matrix difference. [Edit on GitHub]

DMFET_RESTART_FILE_NAME: string

  Usage: DMFET_RESTART_FILE_NAME <FILENAME>

  Root of the file name where to read the matrix potential guess. [Edit on GitHub]

DM_CONV_INT: real = 1.00000000E-001

  Usage: DM_CONV_INT 0.1

  Convergence criterion for the total density matrix difference. [Edit on GitHub]

DM_CONV_MAX: real = 1.00000000E-002

  Usage: DM_CONV_MAX 0.01

  Convergence criterion for the maximum element of density matrix difference. [Edit on GitHub]

N_ITER: integer = 50

  Usage: N_ITER 75

  Maximum number of iterations in the optimization procedure. [Edit on GitHub]

READ_DMFET_POT: logical = F

  Usage: READ_DMFET_POT .FALSE.

  Read the matrix embedding potential (restart) from the cube file. [Edit on GitHub]

TRUST_RAD: real = 5.00000000E-001

  Usage: TRUST_RAD 0.5

  Step length in the optimization procedure. [Edit on GitHub]