# MGRID

multigrid information [Edit on GitHub]

Subsections

- INTERPOLATOR
- RS_GRID

## Keywords

- COMMENSURATE

- CUTOFF

- MULTIGRID_CUTOFF

- MULTIGRID_SET

- NGRIDS

- PROGRESSION_FACTOR

- REALSPACE

- REL_CUTOFF

- SKIP_LOAD_BALANCE_DISTRIBUTED

## Keyword descriptions

COMMENSURATE: logical = F

  Lone keyword: `T`

  Usage: commensurate

  If the grids should be commensurate. If true overrides the progression factor and the cutoffs of the sub grids [Edit on GitHub]

CUTOFF: real = 2.80000000E+002 [Ry]

  Usage: cutoff 300

  Mentions: ⭐How to Converge the CUTOFF and REL_CUTOFF

  The cutoff of the finest grid level. Default value for SE or DFTB calculation is 1.0 [Ry]. [Edit on GitHub]

MULTIGRID_CUTOFF: real[ ] = [Ry]

  Aliases: CUTOFF_LIST

  Usage: MULTIGRID_CUTOFF 200.0 100.0

  List of cutoff values to set up multigrids manually [Edit on GitHub]

MULTIGRID_SET: logical = F

  Usage: MULTIGRID_SET

  Activate a manual setting of the multigrids [Edit on GitHub]

NGRIDS: integer = 4

  Usage: ngrids 1

  Mentions: ⭐How to Converge the CUTOFF and REL_CUTOFF

  The number of multigrids to use [Edit on GitHub]

PROGRESSION_FACTOR: real = 3.00000000E+000

  Usage: progression_factor <integer>

  Mentions: ⭐How to Converge the CUTOFF and REL_CUTOFF

  Factor used to find the cutoff of the multigrids that where not given explicitly [Edit on GitHub]

REALSPACE: logical = F

  Lone keyword: `T`

  Usage: realspace

  If both rho and rho_gspace are needed [Edit on GitHub]

REL_CUTOFF: real = 4.00000000E+001 [Ry]

  Aliases: RELATIVE_CUTOFF

  Usage: RELATIVE_CUTOFF real

  Mentions: ⭐How to Converge the CUTOFF and REL_CUTOFF

  Determines the grid at which a Gaussian is mapped, giving the cutoff used for a gaussian with alpha=1. A value 50+-10Ry might be required for highly accurate results, Or for simulations with a variable cell. Versions prior to 2.3 used a default of 30Ry. [Edit on GitHub]

SKIP_LOAD_BALANCE_DISTRIBUTED: logical = F

  Lone keyword: `T`

  Usage: SKIP_LOAD_BALANCE_DISTRIBUTED

  Skips load balancing on distributed multigrids. Memory usage is O(p) so may be used for all but the very largest runs. [Edit on GitHub]