Table of Contents

Test Case Outputs

This is the output data for the test cases given by Herman & Skillman in their book. The outputs are abridged results useful for comparing whether your program has compiled correctly.

Created: June 14, 2001 --- Last Updated: June 14, 2001
By Mark D. Pauli


+1 atom for Copper, Test Case 1: Modified Potential 110pt

Herm-Skill
Modified U(X)
  1.00000
  0.99000
  0.97977
  0.96942
  0.95907
  0.94878
  0.93859
  0.92854
  0.91865
  0.90893
  0.89938
  0.88080
  0.86290
  0.84563
  0.82898
  0.81292
  0.79744
  0.78253
  0.76817
  0.75435
  0.74104
  0.71580
  0.69216
  0.66988
  0.64878
  0.62874
  0.60967
  0.59149
  0.57414
  0.55755
  0.54168
  0.51186
  0.48430
  0.45873
  0.43496
  0.41288
  0.39241
  0.37341
  0.35574
  0.33926
  0.32380
  0.29551
  0.27021
  0.24755
  0.22731
  0.20929
  0.19331
  0.17917
  0.16668
  0.15565
  0.14589
  0.12962
  0.11677
  0.10651
  0.09823
  0.09145
  0.08585
  0.08117
  0.07722
  0.07385
  0.07095
  0.06897
  0.06897
  0.06897
  0.06897
  0.06897
  0.06897
  0.06897
  0.06897
  0.06897
  0.06897
  0.06897
  0.06897
  0.06897
  0.06897
  0.06897
  0.06897
  0.06897
  0.06897
  0.06897
  0.06897
  0.06897
  0.06897
  0.06897
  0.06897


+1 atom for Copper, Test Case 2: Unmodified Potential 110pt

Herm-Skill
Unmodified U(X)
  1.00000
  0.99000
  0.97976
  0.96941
  0.95905
  0.94875
  0.93855
  0.92850
  0.91860
  0.90888
  0.89932
  0.88073
  0.86282
  0.84554
  0.82888
  0.81280
  0.79731
  0.78239
  0.76802
  0.75419
  0.74086
  0.71560
  0.69193
  0.66963
  0.64851
  0.62844
  0.60934
  0.59114
  0.57376
  0.55715
  0.54126
  0.51139
  0.48378
  0.45816
  0.43434
  0.41223
  0.39170
  0.37266
  0.35496
  0.33843
  0.32293
  0.29456
  0.26919
  0.24646
  0.22616
  0.20809
  0.19206
  0.17789
  0.16537
  0.15431
  0.14454
  0.12827
  0.11543
  0.10521
  0.09697
  0.09026
  0.08472
  0.08009
  0.07619
  0.07285
  0.06996
  0.06521
  0.06142
  0.05829
  0.05526
  0.05331
  0.05128
  0.04947
  0.04786
  0.04641
  0.04512
  0.04291
  0.04114
  0.03972
  0.03859
  0.03769
  0.03698
  0.03642
  0.03598
  0.03563
  0.03536
  0.03448
  0.03448
  0.03448
  0.03448


+2 atom for Praseodymium, Test Case 1: Modified Potential

 59.  11   1  2.000000
 -1.1800000E+02-1.1767700E+02-1.1735082E+02-1.1702210E+02-1.1669148E+02 Z 59   1
 100    161          0       -2.9344699E+03 2.0000000E+00 8.9935652E+02
  0.0000000E+00 4.9446039E-01 9.5630184E-01 1.3871425E+00 1.7885299E+00 Z 59   1
 200    241          0       -4.6182584E+02 2.0000000E+00 2.9429966E+02
 210    241          1       -4.3833647E+02 6.0000000E+00 4.7911131E+03
 300    281          0       -1.0110880E+02 2.0000000E+00 1.3384812E+02
 310    281          1       -9.0732501E+01 6.0000000E+00 2.2857474E+03
 320    281          2       -7.1240228E+01 1.0000000E+01 7.5982307E+03
 400    321          0       -2.1033649E+01 2.0000000E+00 6.4402902E+01
 410    321          1       -1.7080171E+01 6.0000000E+00 1.0779031E+03
 420    361          2       -1.0065181E+01 1.0000000E+01 3.5658675E+03
 500    361          0       -3.8754035E+00 2.0000000E+00 2.6762417E+01
 510    401          1       -2.7965430E+00 6.0000000E+00 4.1029486E+02
 430    361          3       -1.7898655E+00 3.0000000E+00 1.9018099E+03


+2 atom for Praseodymium, Test Case 2: Unmodified Potential

 59.  11   2  2.000000
 -1.1800000E+02-1.1767732E+02-1.1735148E+02-1.1702310E+02-1.1669282E+02 Z 59   1
 100    161          0       -2.9350720E+03 2.0000000E+00 8.9935453E+02
  0.0000000E+00 4.9445930E-01 9.5629973E-01 1.3871394E+00 1.7885259E+00 Z 59   1
 200    241          0       -4.6248964E+02 2.0000000E+00 2.9427990E+02
 210    241          1       -4.3898680E+02 6.0000000E+00 4.7907269E+03
 300    281          0       -1.0185835E+02 2.0000000E+00 1.3383704E+02
 310    281          1       -9.1478895E+01 6.0000000E+00 2.2853929E+03
 320    281          2       -7.1977981E+01 1.0000000E+01 7.5942593E+03
 400    321          0       -2.1683749E+01 2.0000000E+00 6.4648801E+01
 410    321          1       -1.7719803E+01 6.0000000E+00 1.0831081E+03
 420    361          2       -1.0679986E+01 1.0000000E+01 3.5963680E+03
 500    361          0       -4.1417370E+00 2.0000000E+00 2.7567818E+01
 510    401          1       -3.0213639E+00 6.0000000E+00 4.2740370E+02
 430    361          3       -2.3129084E+00 2.0000000E+00 2.0035911E+03
 520    401          2       -1.4053099E+00 1.0000000E+00 1.0699025E+03

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