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certik
Coulomb benchmark
$ 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
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