Converging CUTOFFs for DL-tartaric acid

[Margaret Davis]

Hello,
When I run CUTOFF values 50 Ry thru 1000 Ry with 2 2 2 multiple unit cells, 
I only get to an error in total energy of 10^-6. I was wondering if I 
should be going over 1000 Ry for my cutoff value or if there was a way to 
get these numbers to converge to 10^-8 faster or if I should not be aiming 
for an error in total energy of 10^-8. I have NGRIDS set to 4 and the 
rel_cutoff set to 80 Ry. I have included my energy force input and my 
template for the CUTOFFs.

Cutoff (Ry) Total Energy (Ha) Error in total energy NG on grid 1 NG on grid 
2 NG on grid 3   NG on grid 4 
50 -1906.333709 2246008 651336 281600 256 
100 -1871.31256 -3.50211E+01 1812984 658064 632424 75728 
150 -1871.687863 3.75303E-01 1615752 630256 651336 281856 
200 -1871.412424 -2.75439E-01 1483560 569088 701752 424800 
250 -1871.373552 -3.88722E-02 1321256 611712 597288 648944 
300 -1871.356654 -1.68978E-02 1194616 618368 658064 708152 
350 -1871.331166 -2.54886E-02 1170944 592840 662048 753368 
400 -1871.329314 -1.85195E-03 1054984 582048 685392 856776 
450 -1871.325794 -3.52003E-03 1040216 575536 630256 933192 
500 -1871.32386 -1.93379E-03 977544 628352 533744 1039560 
550 -1871.324599 7.39562E-04 904312 615680 581280 1077928 
600 -1871.325112 5.13015E-04 886376 597184 569088 1126552 
650 -1871.323706 -1.40615E-03 811096 557600 619424 1191080 
700 -1871.322523 -1.18320E-03 775984 568344 588640 1246232 
750 -1871.322898 3.75079E-04 755184 566072 611712 1246232 
800 -1871.323039 1.41042E-04 755184 495800 675680 1252536 
850 -1871.323005 -3.43893E-05 740384 487944 609568 1341304 
900 -1871.323024 1.88039E-05 679872 514744 618368 1366216 
950 -1871.323042 1.84296E-05 644624 536424 583184 1414968 
1000 -1871.323038 -3.86390E-06 632560 548488 583184 1414968 

Thanks,
Margaret Davis
Syracuse University

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