CONVERGENCE_CONTROL

Setup parameters to control the convergence criteria for BAND [Edit on GitHub]

Keywords

MAX_DR

Type: real
Default: 2.00000000E-004
Usage: MAX_DR {real}

Description: Tolerance on the maximum value of the displacement on the BAND.

MAX_FORCE

Type: real
Default: 4.50000000E-004
Usage: MAX_FORCE {real}

Description: Tolerance on the maximum value of Forces on the BAND.

RMS_DR

Type: real
Default: 1.00000000E-004
Usage: RMS_DR {real}

Description: Tolerance on RMS displacements on the BAND.

RMS_FORCE

Type: real
Default: 3.00000000E-004
Usage: RMS_FORCE {real}

Description: Tolerance on RMS Forces on the BAND.