# FILTER_MATRIX

[Edit on GitHub]

## Keywords

- AUTO_CUTOFF_SCALE

- COLLECTIVE_COMMUNICATION

- EPS_FB

- FILTER_TEMPERATURE

## Keyword descriptions

AUTO_CUTOFF_SCALE: real = 5.00000000E-001

  Usage: AUTO_CUTOFF_SCALE 0.5_dp

  References: Rayson2009

  Scalar constant multiplied to maximum orbital size of each atom, used for automatically creating cutoff radii for atomic matrices [Edit on GitHub]

COLLECTIVE_COMMUNICATION: logical = F

  Usage: COLLECTIVE_COMMUNICATION T

  If set to TRUE, then all MPI communications required for the construction of the filter matrix is done at the start and end of each filter matrix calculation. This makes communications more efficient, at the expense of using more memory. If you find the fb_fltrmat_add_blkcol_mpi times at the end of CP2K output is high, then run again with this option set to .TRUE. [Edit on GitHub]

EPS_FB: real = 1.00000000E-012

  Usage: EPS_FB 1.e-12

  References: Rayson2009

  Default tolerance used in generating the filter matrix. Anything less than EPS_FB will be regarded as zero [Edit on GitHub]

FILTER_TEMPERATURE: real = 1.00000000E+004 [K]

  Usage: FILTER_TEMPERATURE [K] 10000

  References: Rayson2009

  Temperature used for the filter function used to construct the filter matrix. [Edit on GitHub]