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Coulomb benchmark #51

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Coulomb benchmark #51

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@certik certik commented Nov 3, 2023

$ time ./uranium_rel
 Hydrogen like relativistic energies for Z=92 (U)
 Mesh parameters (r_min, r_max, a, N):
  1.00E-08     50.00  6.20E+07      4500

  n  l  k              E        E_exact     Error

  1  0  0   -4861.197905   -4861.197905  1.39E-07
  2  0  0   -1257.395852   -1257.395852  1.62E-08
  2  1  0   -1089.611416   -1089.611416  2.96E-12
  2  1  1   -1257.395852   -1257.395852  5.09E-08
  3  0  0    -539.093329    -539.093329  1.46E-07
  3  1  0    -489.037085    -489.037085  4.64E-08
  3  1  1    -539.093329    -539.093329  1.44E-07
  3  2  0    -476.261594    -476.261594  1.52E-10
  3  2  1    -489.037085    -489.037085  4.61E-08
  4  0  0    -295.257839    -295.257839  2.65E-07
  4  1  0    -274.407758    -274.407757  1.55E-07
  4  1  1    -295.257839    -295.257839  2.66E-07
  4  2  0    -268.965877    -268.965877  3.92E-08
  4  2  1    -274.407758    -274.407757  1.55E-07
  4  3  0    -266.389446    -266.389447  4.30E-07
  4  3  1    -268.965877    -268.965877  3.91E-08
  5  0  0    -185.485189    -185.485189  4.60E-07
  5  1  0    -174.944613    -174.944613  1.97E-07
  5  1  1    -185.485189    -185.485189  4.60E-07
  5  2  0    -172.155252    -172.155252  1.47E-07
  5  2  1    -174.944613    -174.944613  1.93E-07
  5  3  0    -170.828937    -170.828937  3.30E-08
  5  3  1    -172.155252    -172.155252  1.47E-07
  5  4  0    -170.049934    -170.049934  8.07E-10
  5  4  1    -170.828937    -170.828937  3.33E-08
  6  0  0    -127.093638    -127.093637  6.69E-07
  6  1  0    -121.057538    -121.057538  5.35E-07
  6  1  1    -127.093638    -127.093637  6.74E-07
  6  2  0    -119.445272    -119.445272  3.14E-07
  6  2  1    -121.057538    -121.057538  5.36E-07
  6  3  0    -118.676410    -118.676410  1.29E-07
  6  3  1    -119.445272    -119.445272  3.12E-07
  6  4  0    -118.224145    -118.224145  1.83E-08
  6  4  1    -118.676410    -118.676410  1.25E-07
  6  5  0    -117.925826    -117.925826  2.12E-09
  6  5  1    -118.224144    -118.224145  1.80E-07
  7  0  0     -92.440787     -92.440787  8.82E-07
  7  1  0     -88.671750     -88.671749  7.94E-07
  7  1  1     -92.440787     -92.440787  8.65E-07
  7  2  0     -87.658288     -87.658287  5.57E-07
  7  2  1     -88.671750     -88.671749  7.98E-07
  7  3  0     -87.173967     -87.173967  3.12E-07
  7  3  1     -87.658288     -87.658287  5.52E-07
  7  4  0     -86.888766     -86.888766  1.25E-07
  7  4  1     -87.173967     -87.173967  3.13E-07
  7  5  0     -86.700520     -86.700520  2.59E-08
  7  5  1     -86.888766     -86.888766  1.25E-07
./uranium_rel  0.06s user 0.00s system 89% cpu 0.067 total

@certik
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certik commented Nov 4, 2023

I am getting:

$ time ./uranium_rel
 Hydrogen like relativistic energies for Z=92 (U)
 Mesh parameters (r_min, r_max, a, N):
  1.00E-08     50.00  6.20E+07      4500

  n  l  k              E        E_exact     Error

  1  0  0   -4861.197905   -4861.197905  1.39E-07
  2  0  0   -1257.395852   -1257.395852  1.62E-08
  2  1  0   -1089.611416   -1089.611416  2.96E-12
  2  1  1   -1257.395852   -1257.395852  5.09E-08
  3  0  0    -539.093329    -539.093329  1.46E-07
  3  1  0    -489.037085    -489.037085  4.64E-08
  3  1  1    -539.093329    -539.093329  1.44E-07
  3  2  0    -476.261594    -476.261594  1.52E-10
  3  2  1    -489.037085    -489.037085  4.61E-08
  4  0  0    -295.257839    -295.257839  2.65E-07
  4  1  0    -274.407758    -274.407757  1.55E-07
  4  1  1    -295.257839    -295.257839  2.66E-07
  4  2  0    -268.965877    -268.965877  3.92E-08
  4  2  1    -274.407758    -274.407757  1.55E-07
  4  3  0    -266.389446    -266.389447  4.30E-07
  4  3  1    -268.965877    -268.965877  3.91E-08
  5  0  0    -185.485189    -185.485189  4.60E-07
  5  1  0    -174.944613    -174.944613  1.97E-07
  5  1  1    -185.485189    -185.485189  4.60E-07
  5  2  0    -172.155252    -172.155252  1.47E-07
  5  2  1    -174.944613    -174.944613  1.93E-07
  5  3  0    -170.828937    -170.828937  3.30E-08
  5  3  1    -172.155252    -172.155252  1.47E-07
  5  4  0    -170.049934    -170.049934  8.07E-10
  5  4  1    -170.828937    -170.828937  3.33E-08
  6  0  0    -127.093638    -127.093637  6.69E-07
  6  1  0    -121.057538    -121.057538  5.35E-07
  6  1  1    -127.093638    -127.093637  6.74E-07
  6  2  0    -119.445272    -119.445272  3.14E-07
  6  2  1    -121.057538    -121.057538  5.36E-07
  6  3  0    -118.676410    -118.676410  1.29E-07
  6  3  1    -119.445272    -119.445272  3.12E-07
  6  4  0    -118.224145    -118.224145  1.83E-08
  6  4  1    -118.676410    -118.676410  1.25E-07
  6  5  0    -117.925826    -117.925826  2.12E-09
  6  5  1    -118.224144    -118.224145  1.80E-07
  7  0  0     -92.440787     -92.440787  8.82E-07
  7  1  0     -88.671750     -88.671749  7.94E-07
  7  1  1     -92.440787     -92.440787  8.65E-07
  7  2  0     -87.658288     -87.658287  5.57E-07
  7  2  1     -88.671750     -88.671749  7.98E-07
  7  3  0     -87.173967     -87.173967  3.12E-07
  7  3  1     -87.658288     -87.658287  5.52E-07
  7  4  0     -86.888766     -86.888766  1.25E-07
  7  4  1     -87.173967     -87.173967  3.13E-07
  7  5  0     -86.700520     -86.700520  2.59E-08
  7  5  1     -86.888766     -86.888766  1.25E-07
  7  6  0     -86.566875     -86.566875  4.30E-07
  7  6  1     -86.700520     -86.700520  2.55E-08
./uranium_rel  0.06s user 0.00s system 96% cpu 0.064 total

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