[CP2K-user] cutoff-convergence

[Akshay Malik]

Dear all,
I am trying to do cutoff-convergence for my system but it is only
converging up to two digits after the decimal point.
Please suggest some method by which I can get converged energy up to 6
decimals.

# Grid cutoff vs total energy
# Date: Thu Oct 10 16:37:32 IST 2019
# PWD: /home/space/cp2k/cutoff-convergence
# REL_CUTOFF = 60
# Cutoff (Ry) | Total Energy (Ha) | NG on grid 1 | NG on grid 2 | NG on
grid 3 | NG on grid 4
     50.00  -1337.8915343935  668903   50882     240       0
    100.00  -1351.0266889654  1216132  286203   11290       0
    150.00  -1351.6349634609  1071797  364690   75938    1200
    200.00  -1351.6825629692  975942  418150  115933    3600
    250.00  -1351.6992612267  875755  439820  192650    5400
    300.00  -1351.6990099247  791971  424161  286203   11290
    350.00  -1351.6961310939  735698  431201  323555   23171
    400.00  -1351.6944391280  687700  428173  341928   55824
    450.00  -1351.6933108152  644645  427152  364690   77138
    500.00  -1351.6931016574  603223  441589  368145  100668

I am using this cp2k file section for calculating energy:
&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME  GTH_BASIS_SETS
    POTENTIAL_FILE_NAME  GTH_POTENTIALS
    &MGRID
      NGRIDS 4
      CUTOFF LT_cutoff
      REL_CUTOFF LT_rel_cutoff
    &END MGRID
    &QS
      EPS_DEFAULT 1.0E-10
    &END QS
    &SCF
      SCF_GUESS ATOMIC
      EPS_SCF 1.0E-6
      MAX_SCF 1
      ADDED_MOS 10
      CHOLESKY INVERSE
      &SMEAR ON
        METHOD FERMI_DIRAC
        ELECTRONIC_TEMPERATURE [K] 333
      &END SMEAR
      &DIAGONALIZATION
        ALGORITHM STANDARD
      &END DIAGONALIZATION
      &MIXING
        METHOD BROYDEN_MIXING
        ALPHA 0.4
        BETA 0.5
        NBROYDEN 8
      &END MIXING
    &END SCF
     &XC
      &XC_FUNCTIONAL BLYP
      &END
    &END
  &END DFT
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