vdw and scf convergence
Jun
chen... at gmail.com
Fri Jan 20 07:03:06 UTC 2012
I attach my input as follows. You can switch on and off the vdw
potential in order to see the difference in scf convergence.
Jun
&FORCE_EVAL
METHOD Quickstep
&DFT
BASIS_SET_FILE_NAME ./BASIS_MOLOPT
POTENTIAL_FILE_NAME ./GTH_POTENTIALS
&MGRID
CUTOFF 280
# NGRIDS 5
&END MGRID
&QS
EPS_DEFAULT 1.0E-13
EXTRAPOLATION ASPC
EXTRAPOLATION_ORDER 2
&END QS
&SCF
SCF_GUESS RESTART
EPS_SCF 3.0E-7
MAX_SCF 50
&OUTER_SCF
EPS_SCF 6.0E-7
MAX_SCF 5
&END
&OT
MINIMIZER diis
PRECONDITIONER FULL_SINGLE_INVERSE
ENERGY_GAP 0.1
&END
&END SCF
&XC
&XC_FUNCTIONAL PBE
&END XC_FUNCTIONAL
# &vdW_POTENTIAL
# DISPERSION_FUNCTIONAL PAIR_POTENTIAL
# &PAIR_POTENTIAL
# TYPE DFTD2
# R_CUTOFF 15.0
# REFERENCE_FUNCTIONAL PBE
## VERBOSE_OUTPUT T
## SCALING 1.0
# &END PAIR_POTENTIAL
# &END vdW_POTENTIAL
&END XC
&END DFT
&SUBSYS
&CELL
ABC [angstrom] 14.760 14.760 42.200
ALPHA_BETA_GAMMA 90.00 90.00 60.00
&END CELL
&COORD
C 0.497 0.560 -0.000
C 1.727 2.690 -0.000
C 2.957 4.820 0.000
C 4.187 6.951 0.000
C 5.417 9.081 0.000
C 6.647 11.212 0.000
C 2.957 0.560 -0.000
C 4.187 2.690 -0.000
C 5.417 4.820 0.000
C 6.647 6.951 0.000
C 7.877 9.081 0.000
C 9.107 11.212 0.000
C 5.417 0.560 0.000
C 6.647 2.690 0.000
C 7.877 4.820 0.000
C 9.107 6.951 0.000
C 10.337 9.081 0.000
C 11.567 11.212 0.000
C 7.877 0.560 0.000
C 9.107 2.690 0.000
C 10.337 4.820 0.000
C 11.567 6.951 0.000
C 12.797 9.081 0.000
C 14.027 11.212 0.000
C 10.337 0.560 -0.000
C 11.567 2.690 0.000
C 12.797 4.820 0.000
C 14.027 6.951 0.000
C 15.257 9.081 0.000
C 16.487 11.212 0.000
C 12.797 0.560 0.000
C 14.027 2.690 0.000
C 15.257 4.820 0.000
C 16.487 6.951 0.000
C 17.717 9.081 0.000
C 18.947 11.212 0.000
C 0.497 0.560 6.800
C 1.727 2.690 6.800
C 2.957 4.820 6.800
C 4.187 6.951 6.800
C 5.417 9.081 6.800
C 6.647 11.212 6.800
C 2.957 0.560 6.800
C 4.187 2.690 6.800
C 5.417 4.820 6.800
C 6.647 6.951 6.800
C 7.877 9.081 6.800
C 9.107 11.212 6.800
C 5.417 0.560 6.800
C 6.647 2.690 6.800
C 7.877 4.820 6.800
C 9.107 6.951 6.800
C 10.337 9.081 6.800
C 11.567 11.212 6.800
C 7.877 0.560 6.800
C 9.107 2.690 6.800
C 10.337 4.820 6.800
C 11.567 6.951 6.800
C 12.797 9.081 6.800
C 14.027 11.212 6.800
C 10.337 0.560 6.800
C 11.567 2.690 6.800
C 12.797 4.820 6.800
C 14.027 6.951 6.800
C 15.257 9.081 6.800
C 16.487 11.212 6.800
C 12.797 0.560 6.800
C 14.027 2.690 6.800
C 15.257 4.820 6.800
C 16.487 6.951 6.800
C 17.717 9.081 6.800
C 18.947 11.212 6.800
C 0.497 0.560 3.400
C 1.727 2.690 3.400
C 2.957 4.820 3.400
C 4.187 6.951 3.400
C 5.417 9.081 3.400
C 6.647 11.212 3.400
C 2.957 0.560 3.400
C 4.187 2.690 3.400
C 5.417 4.820 3.400
C 6.647 6.951 3.400
C 7.877 9.081 3.400
C 9.107 11.212 3.400
C 5.417 0.560 3.400
C 6.647 2.690 3.400
C 7.877 4.820 3.400
C 9.107 6.951 3.400
C 10.337 9.081 3.400
C 11.567 11.212 3.400
C 7.877 0.560 3.400
C 9.107 2.690 3.400
C 10.337 4.820 3.400
C 11.567 6.951 3.400
C 12.797 9.081 3.400
C 14.027 11.212 3.400
C 10.337 0.560 3.400
C 11.567 2.690 3.400
C 12.797 4.820 3.400
C 14.027 6.951 3.400
C 15.257 9.081 3.400
C 16.487 11.212 3.400
C 12.797 0.560 3.400
C 14.027 2.690 3.400
C 15.257 4.820 3.400
C 16.487 6.951 3.400
C 17.717 9.081 3.400
C 18.947 11.212 3.400
C 0.497 0.560 10.200
C 1.727 2.690 10.200
C 2.957 4.820 10.200
C 4.187 6.951 10.200
C 5.417 9.081 10.200
C 6.647 11.212 10.200
C 2.957 0.560 10.200
C 4.187 2.690 10.200
C 5.417 4.820 10.200
C 6.647 6.951 10.200
C 7.877 9.081 10.200
C 9.107 11.212 10.200
C 5.417 0.560 10.200
C 6.647 2.690 10.200
C 7.877 4.820 10.200
C 9.107 6.951 10.200
C 10.337 9.081 10.200
C 11.567 11.212 10.200
C 7.877 0.560 10.200
C 9.107 2.690 10.200
C 10.337 4.820 10.200
C 11.567 6.951 10.200
C 12.797 9.081 10.200
C 14.027 11.212 10.200
C 10.337 0.560 10.200
C 11.567 2.690 10.200
C 12.797 4.820 10.200
C 14.027 6.951 10.200
C 15.257 9.081 10.200
C 16.487 11.212 10.200
C 12.797 0.560 10.200
C 14.027 2.690 10.200
C 15.257 4.820 10.200
C 16.487 6.951 10.200
C 17.717 9.081 10.200
C 18.947 11.212 10.200
C 2.957 1.980 -0.000
C 4.187 4.110 0.000
C 5.417 6.241 0.000
C 6.647 8.371 0.000
C 7.877 10.502 0.000
C 9.107 12.632 -0.000
C 5.417 1.980 0.000
C 6.647 4.110 0.000
C 7.877 6.241 0.000
C 9.107 8.371 0.000
C 10.337 10.502 0.000
C 11.567 12.632 -0.000
C 7.877 1.980 0.000
C 9.107 4.110 0.000
C 10.337 6.241 0.000
C 11.567 8.371 0.000
C 12.797 10.502 0.000
C 14.027 12.632 0.000
C 10.337 1.980 -0.000
C 11.567 4.110 0.000
C 12.797 6.241 0.000
C 14.027 8.371 0.000
C 15.257 10.502 0.000
C 16.487 12.632 0.000
C 12.797 1.980 0.000
C 14.027 4.110 0.000
C 15.257 6.241 0.000
C 16.487 8.371 0.000
C 17.717 10.502 0.000
C 18.947 12.632 0.000
C 15.257 1.980 0.000
C 16.487 4.110 0.000
C 17.717 6.241 0.000
C 18.947 8.371 0.000
C 20.177 10.502 0.000
C 21.407 12.632 0.000
C 2.957 1.980 6.800
C 4.187 4.110 6.800
C 5.417 6.241 6.800
C 6.647 8.371 6.800
C 7.877 10.502 6.800
C 9.107 12.632 6.800
C 5.417 1.980 6.800
C 6.647 4.110 6.800
C 7.877 6.241 6.800
C 9.107 8.371 6.800
C 10.337 10.502 6.800
C 11.567 12.632 6.800
C 7.877 1.980 6.800
C 9.107 4.110 6.800
C 10.337 6.241 6.800
C 11.567 8.371 6.800
C 12.797 10.502 6.800
C 14.027 12.632 6.800
C 10.337 1.980 6.800
C 11.567 4.110 6.800
C 12.797 6.241 6.800
C 14.027 8.371 6.800
C 15.257 10.502 6.800
C 16.487 12.632 6.800
C 12.797 1.980 6.800
C 14.027 4.110 6.800
C 15.257 6.241 6.800
C 16.487 8.371 6.800
C 17.717 10.502 6.800
C 18.947 12.632 6.800
C 15.257 1.980 6.800
C 16.487 4.110 6.800
C 17.717 6.241 6.800
C 18.947 8.371 6.800
C 20.177 10.502 6.800
C 21.407 12.632 6.800
C 1.727 1.270 3.400
C 2.957 3.400 3.400
C 4.187 5.531 3.400
C 5.417 7.661 3.400
C 6.647 9.791 3.400
C 7.877 11.922 3.400
C 4.187 1.270 3.400
C 5.417 3.400 3.400
C 6.647 5.531 3.400
C 7.877 7.661 3.400
C 9.107 9.791 3.400
C 10.337 11.922 3.400
C 6.647 1.270 3.400
C 7.877 3.400 3.400
C 9.107 5.531 3.400
C 10.337 7.661 3.400
C 11.567 9.791 3.400
C 12.797 11.922 3.400
C 9.107 1.270 3.400
C 10.337 3.400 3.400
C 11.567 5.531 3.400
C 12.797 7.661 3.400
C 14.027 9.791 3.400
C 15.257 11.922 3.400
C 11.567 1.270 3.400
C 12.797 3.400 3.400
C 14.027 5.531 3.400
C 15.257 7.661 3.400
C 16.487 9.791 3.400
C 17.717 11.922 3.400
C 14.027 1.270 3.400
C 15.257 3.400 3.400
C 16.487 5.531 3.400
C 17.717 7.661 3.400
C 18.947 9.791 3.400
C 20.177 11.922 3.400
C 1.727 1.270 10.200
C 2.957 3.400 10.200
C 4.187 5.531 10.200
C 5.417 7.661 10.200
C 6.647 9.791 10.200
C 7.877 11.922 10.200
C 4.187 1.270 10.200
C 5.417 3.400 10.200
C 6.647 5.531 10.200
C 7.877 7.661 10.200
C 9.107 9.791 10.200
C 10.337 11.922 10.200
C 6.647 1.270 10.200
C 7.877 3.400 10.200
C 9.107 5.531 10.200
C 10.337 7.661 10.200
C 11.567 9.791 10.200
C 12.797 11.922 10.200
C 9.107 1.270 10.200
C 10.337 3.400 10.200
C 11.567 5.531 10.200
C 12.797 7.661 10.200
C 14.027 9.791 10.200
C 15.257 11.922 10.200
C 11.567 1.270 10.200
C 12.797 3.400 10.200
C 14.027 5.531 10.200
C 15.257 7.661 10.200
C 16.487 9.791 10.200
C 17.717 11.922 10.200
C 14.027 1.270 10.200
C 15.257 3.400 10.200
C 16.487 5.531 10.200
C 17.717 7.661 10.200
C 18.947 9.791 10.200
C 20.177 11.922 10.200
C 10.712 0.272 37.889
C 10.760 1.264 38.935
N 10.495 -0.497 36.971
H 10.888 2.266 38.508
H 9.812 1.320 39.457
H 11.632 1.125 39.560
C 8.290 7.740 21.009
C 7.477 9.027 20.775
N 9.104 6.829 20.952
H 6.586 9.083 21.408
H 8.100 9.948 20.924
H 7.134 9.046 19.725
C 12.581 11.728 25.942
C 12.533 11.218 27.325
N 12.560 12.322 24.872
H 11.520 11.361 27.718
H 12.853 10.168 27.407
H 13.139 11.824 28.020
C 6.755 4.711 18.065
C 6.101 4.713 19.427
N 7.282 5.027 17.006
H 6.820 4.258 20.111
H 5.887 5.751 19.686
H 5.180 4.090 19.509
C 4.682 2.205 29.031
C 3.778 1.326 29.781
N 5.286 3.021 28.348
H 2.773 1.626 29.541
H 3.869 0.301 29.473
H 3.955 1.327 30.861
C 4.585 7.789 18.336
C 4.439 7.533 16.938
N 4.732 8.036 19.543
H 4.219 6.445 16.715
H 3.630 8.131 16.466
H 5.416 7.772 16.405
C 14.752 1.245 31.773
C 14.281 1.757 30.479
N 15.247 0.817 32.787
H 15.031 2.347 30.002
H 13.997 0.904 29.843
H 13.391 2.339 30.688
C 2.650 0.597 22.247
C 3.879 1.441 22.574
N 1.590 0.018 22.186
H 4.142 2.066 21.668
H 3.525 2.161 23.327
H 4.722 0.856 22.967
C 8.171 11.760 27.254
C 8.174 12.119 25.847
N 7.913 11.852 28.476
H 9.080 12.682 25.553
H 7.985 11.315 25.123
H 7.332 12.811 25.723
C 5.317 3.761 24.494
C 6.655 3.252 24.267
N 4.146 4.066 24.648
H 7.408 4.009 24.503
H 6.824 2.370 24.898
H 6.843 2.981 23.205
C 11.216 4.815 32.785
C 11.624 5.703 33.846
N 10.754 4.196 31.852
H 10.765 6.149 34.381
H 12.225 5.221 34.644
H 12.235 6.506 33.402
C 7.378 5.959 28.682
C 6.009 6.348 28.219
N 8.486 5.651 29.141
H 6.039 7.360 27.785
H 5.609 5.676 27.446
H 5.240 6.328 29.009
C 9.277 3.660 36.133
C 8.912 3.009 34.879
N 9.630 4.390 37.065
H 9.774 2.523 34.398
H 8.083 2.300 34.972
H 8.570 3.694 34.134
C 11.946 4.947 27.530
C 12.048 5.422 28.939
N 11.961 4.615 26.367
H 12.838 4.875 29.426
H 12.298 6.502 28.985
H 11.118 5.249 29.503
C 2.016 4.640 27.860
C 1.663 3.273 27.307
N 2.419 5.802 28.076
H 1.653 2.493 28.080
H 0.670 3.273 26.920
H 2.361 3.003 26.469
C 12.407 9.662 35.732
C 13.155 10.290 36.826
N 11.852 9.148 34.759
H 12.496 10.916 37.453
H 13.914 10.932 36.428
C 8.205 7.979 37.393
C 9.628 7.604 37.651
N 7.004 8.196 37.275
H 9.630 6.886 38.473
H 10.109 7.052 36.807
H 10.262 8.419 37.912
H 13.603 9.552 37.532
C 3.295 2.823 33.080
C 3.400 1.853 34.168
N 3.273 3.651 32.186
H 2.411 1.469 34.458
H 4.076 1.048 33.891
H 3.866 2.366 35.016
C 8.476 8.747 25.069
C 9.376 8.806 23.924
N 7.746 8.663 26.043
H 8.929 9.432 23.139
H 10.362 9.237 24.146
H 9.470 7.823 23.512
C 11.292 4.445 21.987
C 11.107 5.471 23.069
N 11.465 3.581 21.114
H 10.174 5.979 22.892
H 11.075 5.063 24.099
H 11.944 6.227 23.008
C 8.205 1.637 28.539
C 9.325 2.550 28.369
N 7.420 0.732 28.817
H 10.209 2.029 28.043
H 9.151 3.368 27.672
H 9.534 3.021 29.331
C 15.552 5.467 36.205
C 14.167 5.978 36.381
N 16.642 4.966 35.936
H 13.844 6.665 35.569
H 13.488 5.135 36.461
H 14.010 6.577 37.299
C 3.313 0.854 39.088
C 3.742 1.286 37.756
N 2.893 0.692 40.241
H 4.607 1.972 37.830
H 3.994 0.411 37.129
H 2.874 1.825 37.351
C 5.318 4.904 36.675
C 4.776 5.532 37.856
N 5.767 4.389 35.688
H 4.083 4.887 38.419
H 5.512 5.985 38.529
H 4.209 6.389 37.507
C 9.053 10.673 35.922
C 8.757 10.350 34.532
N 9.309 10.875 37.097
H 8.285 11.199 34.059
H 9.679 10.171 33.962
H 8.093 9.467 34.438
C 9.938 8.884 29.390
C 8.760 8.802 30.347
N 10.900 8.794 28.600
H 7.978 9.529 30.182
H 8.313 7.819 30.397
H 9.185 8.914 31.354
C 20.163 13.679 27.312
C 19.323 12.468 27.535
N 20.915 14.572 26.953
H 18.294 12.617 27.240
H 19.766 11.624 27.007
H 19.325 12.168 28.589
C 14.900 6.927 31.801
C 15.250 5.454 31.530
N 14.632 8.042 32.240
H 16.121 5.389 30.866
H 15.508 5.033 32.489
H 14.367 4.936 31.122
C 14.420 12.352 33.692
C 15.530 11.339 33.782
N 13.458 13.104 33.691
H 15.160 10.408 34.242
H 15.909 11.054 32.788
H 16.297 11.722 34.469
C 19.268 9.620 35.198
C 18.034 8.926 34.786
N 20.299 10.115 35.549
H 17.612 8.404 35.644
H 17.231 9.637 34.466
H 18.200 8.178 33.969
C 11.416 11.017 31.369
C 12.334 9.958 31.678
N 10.658 11.992 31.288
H 12.588 9.393 30.769
H 13.232 10.369 32.088
H 11.914 9.235 32.401
C 18.873 12.676 32.733
C 19.458 13.242 33.962
N 18.411 12.058 31.771
H 20.574 13.332 33.941
H 19.021 14.247 34.106
H 19.136 12.627 34.835
C 3.690 6.818 24.407
C 5.014 7.301 24.902
N 2.689 6.406 23.859
H 5.635 6.429 25.150
H 5.542 7.937 24.178
H 4.955 7.827 25.876
C 7.130 6.638 32.474
C 6.340 5.521 32.039
N 7.851 7.467 33.017
H 5.760 5.191 32.885
H 5.655 5.748 31.204
H 6.933 4.685 31.709
C 8.285 9.159 16.859
C 8.812 7.938 16.196
N 7.646 10.041 17.458
H 9.817 8.090 15.812
H 8.116 7.608 15.386
C 10.289 4.558 15.525
C 10.757 3.839 16.738
N 10.109 5.130 14.443
H 9.953 3.572 17.424
H 11.220 2.885 16.477
H 11.555 4.349 17.262
C 7.140 2.774 13.281
C 6.821 4.017 14.057
N 7.341 1.732 12.713
H 6.238 3.659 14.930
H 7.699 4.511 14.489
H 6.317 4.713 13.428
C 6.152 11.613 14.335
C 7.402 11.179 13.749
N 5.173 11.976 14.948
H 8.159 11.977 13.842
H 7.805 10.307 14.228
H 7.320 11.003 12.683
C 14.120 6.914 14.676
C 12.923 7.745 14.370
N 15.280 6.573 14.936
H 13.232 8.789 14.082
H 12.441 7.337 13.517
H 12.222 7.958 15.208
C 12.459 9.981 21.328
C 13.287 9.885 20.106
N 11.688 10.193 22.288
H 13.890 10.779 19.931
H 13.965 9.023 20.151
H 12.618 9.845 19.275
C 16.487 10.157 16.998
C 17.085 11.446 17.407
N 15.833 9.150 16.810
H 18.084 11.575 16.970
H 16.463 12.260 17.026
H 17.194 11.439 18.511
C 15.045 9.167 24.833
C 14.299 7.984 24.285
N 15.736 10.034 25.296
H 14.024 8.276 23.247
H 15.001 7.139 24.291
H 13.414 7.787 24.918
H 8.912 7.079 16.862
C 12.249 6.531 18.064
C 13.568 5.968 18.098
N 11.221 7.137 18.133
H 13.687 5.357 19.011
H 13.749 5.382 17.188
H 14.328 6.803 18.078
C 7.413 1.208 18.550
C 8.589 1.511 19.374
N 6.534 0.949 17.735
H 9.472 1.076 18.871
H 8.790 2.605 19.367
H 8.469 1.206 20.412
C 12.171 -0.091 23.597
C 12.174 1.335 23.097
N 12.321 -1.182 24.134
H 12.943 1.906 23.575
H 12.319 1.466 22.020
H 11.193 1.763 23.310
C 14.393 1.815 36.502
C 14.253 0.665 37.424
N 14.349 2.763 35.716
H 15.247 0.261 37.680
H 13.844 1.011 38.414
H 13.634 -0.127 37.003
C 2.737 1.840 18.943
C 2.343 0.544 18.358
N 2.985 2.962 19.363
H 3.066 -0.201 18.603
H 1.350 0.152 18.660
H 2.383 0.661 17.265
C 15.260 6.179 21.193
C 15.625 4.846 21.677
N 14.942 7.338 21.036
H 15.874 4.152 20.871
H 16.453 4.962 22.375
H 14.783 4.378 22.203
C 17.454 9.103 12.767
C 18.740 9.307 13.492
N 16.396 8.719 12.287
H 19.107 8.377 13.934
H 19.506 9.691 12.811
H 18.685 10.034 14.308
C 12.629 11.260 15.459
C 13.758 11.854 14.689
N 11.769 10.581 15.999
H 13.411 12.335 13.790
H 14.299 12.578 15.321
H 14.541 11.124 14.446
C 13.703 2.947 14.639
C 13.803 2.218 15.948
N 13.533 3.540 13.586
H 14.004 1.138 15.818
H 14.641 2.620 16.528
H 12.853 2.387 16.470
C 17.323 10.269 21.684
C 17.528 9.205 22.604
N 17.196 11.126 20.821
H 16.642 8.884 23.119
H 17.804 8.331 22.011
H 18.338 9.447 23.303
C 15.622 12.778 23.572
C 16.051 12.983 24.989
N 15.214 12.976 22.438
H 15.245 12.716 25.692
H 16.963 12.395 25.228
H 16.255 14.060 25.144
C 17.663 8.493 30.466
C 16.699 9.264 29.631
N 18.531 7.933 31.111
H 16.572 8.708 28.678
H 15.700 9.388 30.084
H 17.088 10.277 29.492
C 20.596 12.665 18.982
C 21.049 12.503 20.388
N 20.390 12.919 17.800
H 21.276 13.482 20.810
H 20.364 11.885 21.002
H 21.992 11.919 20.399
C 2.175 4.727 16.215
C 3.021 4.438 15.010
N 1.590 5.020 17.230
H 2.630 5.024 14.163
H 4.057 4.616 15.284
H 2.930 3.364 14.754
&END COORD
&KIND B
BASIS_SET DZVP-MOLOPT-SR-GTH
POTENTIAL GTH-PBE-q3
&END KIND
&KIND H
BASIS_SET DZVP-MOLOPT-SR-GTH
POTENTIAL GTH-PBE-q1
&END KIND
&KIND N
BASIS_SET DZVP-MOLOPT-SR-GTH
POTENTIAL GTH-PBE-q5
&END KIND
&KIND C
BASIS_SET DZVP-MOLOPT-SR-GTH
POTENTIAL GTH-PBE-q4
&END KIND
&KIND F
BASIS_SET DZVP-MOLOPT-SR-GTH
POTENTIAL GTH-PBE-q7
&END KIND
&END SUBSYS
&END FORCE_EVAL
&GLOBAL
PROJECT test
RUN_TYPE MD
PRINT_LEVEL medium
WALLTIME 43000
&END GLOBAL
&MOTION
&GEO_OPT
TYPE minimization
OPTIMIZER BFGS
MAX_ITER 200
&END GEO_OPT
&CONSTRAINT
&FIXED_ATOMS
LIST 1..288
&END FIXED_ATOMS
&END CONSTRAINT
&MD
&THERMOSTAT
&NOSE
LENGTH 3
YOSHIDA 3
TIMECON 1000.
MTS 2
&END NOSE
&END THERMOSTAT
ENSEMBLE NVE
STEPS 2000000
TIMESTEP 0.5
TEMPERATURE 300.0
TEMP_TOL 50
&END MD
&PRINT
&TRAJECTORY
&EACH
MD 1
&END EACH
&END TRAJECTORY
&VELOCITIES
&EACH
MD 1
&END EACH
&END VELOCITIES
&FORCES OFF
&END FORCES
&RESTART_HISTORY
&EACH
MD 1000
&END EACH
&END RESTART_HISTORY
&RESTART
BACKUP_COPIES 3
&EACH
MD 1
&END EACH
&END RESTART
# &STRESS
# &END STRESS
&END PRINT
&END MOTION
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