gistfile1.txt

ondrej@crow:~/repos/dftatom(master)$ tests/uranium/uranium_nonrel 
 Hydrogen like nonrelativistic energies for Z=92 (U)
 Mesh parameters (r_min, r_max, a, N):
  1.00E-08     50.00  1.00E+06      3000

  n  l              E        E_exact     Error

           9 -0.74986248515115494     
          10 -1.38325477745979727E-004
          11 -8.74251184857079945E-012
  1  0   -4232.000001   -4232.000000  8.11E-07
           9 -0.18742020522627345     
          10 -7.97736622075845812E-005
          11 -1.46361790509260321E-011
  2  0   -1058.000000   -1058.000000  2.11E-08
           9 -0.18732711373758071     
          10 -1.72582142500558915E-004
          11 -1.45924468117106563E-010
          12 -1.97473201850132844E-013
  2  1   -1058.000000   -1058.000000  3.04E-07
           9 -0.68677233365237034     
          10 -4.19969317649113594E-003
          11 -1.49853556149816481E-007
          12  7.04487510694013033E-014
  3  0    -470.222222    -470.222222  4.55E-08
           9 -0.68467545214814940     
          10 -6.29614479100460214E-003
          11 -5.04785527554721066E-007
          12  2.76872628295977903E-014
  3  1    -470.222222    -470.222222  1.20E-07
           9 -0.67417653462958127     
          10 -1.67859650166920123E-002
          11 -9.58058602264910985E-006
          12 -3.20074053069439843E-012
  3  2    -470.222222    -470.222222  1.42E-07
           9 -4.68271710488691872E-002
          10 -4.77347447014288672E-005
          11 -4.92982602175044190E-011
  4  0    -264.500000    -264.500000  9.42E-08
           9 -4.68128957433184417E-002
          10 -6.20045857281679107E-005
          11 -1.08400270021056874E-010
          12 -4.57348348625117284E-014
  4  1    -264.500000    -264.500000  9.96E-08
           9 -4.67644566363863076E-002
          10 -1.10463321946008592E-004
          11 -6.13048949880596110E-010
          12 -1.50364977743390782E-014
  4  2    -264.500000    -264.500000  7.94E-08
           9 -4.65444373431136912E-002
          10 -3.30464007791225333E-004
          11 -1.64165728363559645E-008
          12 -1.26340807144447132E-014
  4  3    -264.500000    -264.500000  8.22E-08
           9 -0.13849907431661940     
          10 -8.75710346190700486E-004
          11 -3.44779679901953513E-008
          12 -1.37494195284339803E-014
  5  0    -169.280000    -169.280000  1.81E-07
           9 -0.13831805598043731     
          10 -1.05672874484247312E-003
          11 -6.05771619385881450E-008
          12  8.04195181137107824E-015
  5  1    -169.280000    -169.280000  1.55E-07
           9 -0.13779848920040857     
          10 -1.57621145325903328E-003
          11 -2.01028745752533685E-007
          12  1.05166700816163797E-014
  5  2    -169.280000    -169.280000  9.83E-08
           9 -0.13626152283840173     
          10 -3.11186844448395079E-003
          11 -1.54848058890700433E-006
          12 -3.63192643374707542E-013
  5  3    -169.280000    -169.280000  6.02E-08
           9 -0.12911878813710806     
          10 -1.02007864178438046E-002
          11 -5.53701459470017714E-005
          12 -1.61349096241016020E-009
          13  8.68496431070773271E-015
  5  4    -169.280000    -169.280000  5.37E-08
           9  2.26106701325875237E-002
          10 -4.09252691683330611E-005
          11 -1.34706935057764491E-010
          12 -1.95177396627773599E-014
  6  0    -117.555555    -117.555556  3.00E-07
           9  2.26169507150345353E-002
          10 -4.72489055608013591E-005
          11 -2.07281602002804027E-010
          12  1.21110024997328642E-014
  6  1    -117.555555    -117.555556  2.57E-07
           9  2.26334082427535749E-002
          10 -6.37879353597745969E-005
          11 -5.09993320656385515E-010
          12 -6.84639338925302109E-015
  6  2    -117.555555    -117.555556  1.75E-07
           9  2.26735677292037134E-002
          10 -1.04024505643576359E-004
          11 -2.21202019993406630E-009
          12  9.24726166250537451E-016
  6  3    -117.555555    -117.555556  9.66E-08
           9  2.27918480343668045E-002
          10 -2.22333062296581346E-004
          11 -2.16020780088808647E-008
          12 -4.09309326035229278E-016
  6  4    -117.555556    -117.555556  4.89E-08
           9  2.33740199078524766E-002
          10 -8.03514351552696640E-004
          11 -1.02324684115934361E-006
          12 -1.65384119761878475E-012
  6  5    -117.555556    -117.555556  3.79E-08
           9 -3.90172043929014195E-002
          10 -2.04279835402413750E-004
          11 -5.52983308463091006E-009
          12   0.0000000000000000     
  7  0     -86.367346     -86.367347  4.49E-07
           9 -3.89923813603534133E-002
          10 -2.29153885921125989E-004
          11 -7.80541346822748697E-009
          12 -9.50633087433675202E-016
  7  1     -86.367347     -86.367347  3.96E-07
           9 -3.89311025438960068E-002
          10 -2.90524117233469526E-004
          11 -1.59055043956223760E-008
          12  7.55543110786582555E-016
  7  2     -86.367347     -86.367347  2.96E-07
           9 -3.87978553513692800E-002
          10 -4.23848747104722432E-004
          11 -4.93948446168189972E-008
          12 -3.97984945791563175E-015
  7  3     -86.367347     -86.367347  1.85E-07
           9 -3.84814697305137093E-002
          10 -7.40112364633918021E-004
          11 -2.63182408207118407E-007
          12 -3.20406243176858130E-014
  7  4     -86.367347     -86.367347  9.35E-08
           9 -3.75211200801533612E-002
          10 -1.69758631052470974E-003
          11 -3.19097310971947973E-006
          12 -1.12207327884690029E-011
  7  5     -86.367347     -86.367347  4.14E-08
           9 -3.24594096335894325E-002
          10 -6.56178088761292296E-003
          11 -2.00543282417578629E-004
          12 -1.76768587892051051E-007
          13 -1.29186897770851400E-013
  7  6     -86.367347     -86.367347  2.82E-08