[CP2K-user] Choosing CUTOFF and REL_CUTOFF from given data

[Rizwan Nabi]

Hi CP2k Users,
Can anyone tell me how can we say CUTOFF is 250Ry and REL_CUTOFF is 60Ry 
from the given data?

# 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   -32.3795329864    5048    5432      16       0
    100.00   -32.3804557631    2720    5000    2760      16
    150.00   -32.3804554850    2032    3016    5432      16
    200.00   -32.3804554982    1880    2472    3384    2760
    250.00   -32.3804554859     264    4088    3384    2760
    300.00   -32.3804554843     264    2456    5000    2776
    350.00   -32.3804554846      56    1976    5688    2776
    400.00   -32.3804554851      56    1976    3016    5448
    450.00   -32.3804554851       0    2032    3016    5448
    500.00   -32.3804554850       0    2032    3016    5448

# CUTOFF = 250
# Rel Cutoff (Ry) | Total Energy (Ha) | NG on grid 1 | NG on grid 2 | NG on 
grid 3 | NG on grid 4
     10.00   -32.3902980020       0       0    2032    8464
     20.00   -32.3816384686       0     264    4088    6144
     30.00   -32.3805115576       0    2032    3016    5448
     40.00   -32.3805116025      56    1976    3016    5448
     50.00   -32.3804555002     264    2456    5000    2776
     60.00   -32.3804554859     264    4088    3384    2760
     70.00   -32.3804554859    1880    2472    3384    2760
     80.00   -32.3804554859    1880    2472    3384    2760
     90.00   -32.3804554848    2032    3016    5432      16
    100.00   -32.3804554848    2032    3016    5432      16


Regards
Rizwan


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