# -*- mode: org -*-

Multi-grid cutoff relaxation

* Fixed REL_CUTOFF to 60 Ry and vary CUTOFF
  - Found CUTOFF = 250 Ry to be sufficient.
  - REL_CUTOFF of the results is adequate, as top level fine grids are
    used for higher CUTOFF than 250 Ry, and energy appears to be
    converged
  - From the number of gaussians distributed to the grid levels, not
    many gaussians are assigned to the finest grid

* Fixed CUTOFF to 250 Ry and vary REL_CUTOFF
  - Found REL_CUTOFF = 60 Ry to be sufficient
