Table of Contents

Abridged Output for Zinc, in30

This is the output data from a run of the Herman-Skillman program for neutral Zinc as the input. All of the output files (hsinfo.out, hswf.out, hspot.out, hsall.out) are concatenated together within this file and delineated by headers. The various outputs have all been abridged to save space. They show the first few lines and last few lines of every data item to give an idea of what the output will look like.

Created: April 19, 1999 --- Last Updated: April 19, 1999
By Mark D. Pauli


                Abridged output for neutral Zinc



******************************     hsinfo.out     ******************************
 ZINC                                                                    

      KEY   TOL     THRESH   MESH   IPRATT  MAXIT  KUT     RADION       RATIO       ALPHA
       0   0.0030  0.000100   441      1     50     0     0.0000000   1.0000000   0.7000000


 100  2.000000      -698.400
 200  2.000000       -85.120
 210  6.000000       -75.550
 300  2.000000        -9.793
 310  6.000000        -6.661
 320 10.000000        -1.258
 400  2.000000        -0.618

  ITER    Z       DELTA        I(DEL)    X(DEL)    I(CUT)    X(CUT)
    1   30.0  9.61390495E-01     183     2.3800      265    10.1400


 100  2.000000      -693.153
 200  2.000000       -83.190
 210  6.000000       -73.478
 300  2.000000        -8.988
 310  6.000000        -5.879
 320 10.000000        -0.600
 400  2.000000        -0.505

  ITER    Z       DELTA        I(DEL)    X(DEL)    I(CUT)    X(CUT)
    2   30.0  7.56774902E-01     171     1.9000      257     8.8600


 .
 .
 .


 100  2.000000      -690.699
 200  2.000000       -83.261
 210  6.000000       -73.511
 300  2.000000        -9.218
 310  6.000000        -6.114
 320 10.000000        -0.853
 400  2.000000        -0.532

  ITER    Z       DELTA        I(DEL)    X(DEL)    I(CUT)    X(CUT)
   31   30.0  3.48091125E-03     169     1.8200      256     8.7000


 100  2.000000      -690.694
 200  2.000000       -83.257
 210  6.000000       -73.507
 300  2.000000        -9.215
 310  6.000000        -6.111
 320 10.000000        -0.851
 400  2.000000        -0.531

  ITER    Z       DELTA        I(DEL)    X(DEL)    I(CUT)    X(CUT)
   32   30.0  2.83622742E-03     177     2.1400      256     8.7000





*******************************     hswf.out     *******************************
HERMAN-S
ZINC                                                                    
  30.0000
   7
   0
 201
   1.0000
 0.0000000E+00 2.2513790E-01 4.4075802E-01 6.4716476E-01 8.4465355E-01
 1.0335121E+00 1.2140198E+00 1.3864475E+00 1.5510595E+00 1.7081113E+00
 1.8578517E+00 2.0005224E+00 2.1363578E+00 2.2655857E+00 2.3884270E+00
 2.5050960E+00 2.6158013E+00 2.7207456E+00 2.8201241E+00 2.9141276E+00
 3.0029409E+00 3.0867429E+00 3.1657076E+00 3.2400041E+00 3.3097956E+00


 .
 .
 .


 8.3896939E-06 6.2454792E-06 4.6484547E-06 3.4592242E-06 2.5738293E-06
 1.9147644E-06 1.4242586E-06 1.0592614E-06 7.8770114E-07 5.8568799E-07
 4.3543207E-07 3.2368754E-07 2.4059426E-07 1.7881339E-07 1.3288376E-07
 9.8741943E-08 7.3365072E-08 5.4504611E-08 4.0488231E-08 3.0072279E-08
 2.2331969E-08 1.6579646E-08 1.2303971E-08 9.1246548E-09 6.7587673E-09
 4.9956608E-09
   0
 241
   1.0000
 0.0000000E+00 6.9217511E-02 1.3548759E-01 1.9888382E-01 2.5947821E-01
 3.1734151E-01 3.7254292E-01 4.2515016E-01 4.7522971E-01 5.2284652E-01
 5.6806433E-01 6.1094534E-01 6.5155071E-01 6.8994009E-01 7.2617203E-01
 7.6030374E-01 7.9239106E-01 8.2248896E-01 8.5065085E-01 8.7692946E-01
 9.0137583E-01 9.2404026E-01 9.4497198E-01 9.6421880E-01 9.8182786E-01


 .
 .
 .


-8.7374641E-04-7.1289501E-04-5.8154628E-04-4.7431450E-04-3.8679087E-04
-3.1536818E-04-2.5709582E-04-2.0956130E-04-1.7079264E-04-1.3917846E-04
-1.1340235E-04-9.2389193E-05-7.5261130E-05-6.1301558E-05-4.9925577E-05
-4.0655923E-05-3.3103195E-05-2.6949745E-05-2.1936470E-05-1.7852055E-05
-1.4524161E-05-1.1812230E-05-9.6016147E-06-7.7987816E-06-6.3273824E-06
-5.1250572E-06
   1
 241
   1.0000
 0.0000000E+00 3.9168698E-04 1.5501152E-03 3.4507613E-03 6.0696620E-03
 9.3834009E-03 1.3369106E-02 1.8004427E-02 2.3267535E-02 2.9137108E-02
 3.5592325E-02 4.2612858E-02 5.0178841E-02 5.8270890E-02 6.6870078E-02
 7.5957917E-02 8.5516378E-02 9.5527843E-02 1.0597513E-01 1.1684147E-01
 1.2811050E-01 1.3976622E-01 1.5179305E-01 1.6417579E-01 1.7689961E-01


 .
 .
 .


 9.7195694E-04 8.0196070E-04 6.6160341E-04 5.4573861E-04 4.5010875E-04
 3.7119249E-04 3.0607849E-04 2.5236022E-04 2.0804907E-04 1.7150221E-04
 1.4136253E-04 1.1650941E-04 9.6017597E-05 7.9123245E-05 6.5195920E-05
 5.3715314E-05 4.4252152E-05 3.6452195E-05 3.0023230E-05 2.4724195E-05
 2.0356234E-05 1.6755306E-05 1.3786081E-05 1.1336892E-05 9.3155650E-06
 7.6459855E-06
   0
 321
   1.0000
 0.0000000E+00 2.6624389E-02 5.2114055E-02 7.6496363E-02 9.9798165E-02
 1.2204579E-01 1.4326508E-01 1.6348143E-01 1.8271962E-01 2.0100410E-01
 2.1835873E-01 2.3480695E-01 2.5037172E-01 2.6507559E-01 2.7894056E-01
 2.9198828E-01 3.0423999E-01 3.1571636E-01 3.2643777E-01 3.3642411E-01
 3.4569499E-01 3.5426947E-01 3.6216632E-01 3.6940384E-01 3.7599999E-01


 .
 .
 .


 2.1963242E-06 1.6742521E-06 1.2761678E-06 9.7265411E-07 7.4126569E-07
 5.6487863E-07 4.3043056E-07 3.2795811E-07 2.4986269E-07 1.9034985E-07
 1.4500105E-07 1.1044744E-07 8.4120714E-08 6.4062931E-08 4.8781605E-08
 3.7139049E-08 2.8268072E-08 2.1507573E-08 1.6353502E-08 1.2421404E-08
 9.4178398E-09
   1
 321
   1.0000
 0.0000000E+00 1.4881454E-04 5.8893271E-04 1.3110195E-03 2.3059410E-03
 3.5647608E-03 5.0787381E-03 6.8393205E-03 8.8381451E-03 1.1067033E-02
 1.3517984E-02 1.6183177E-02 1.9054966E-02 2.2125868E-02 2.5388576E-02
 2.8835947E-02 3.2460995E-02 3.6256880E-02 4.0216945E-02 4.4334657E-02
 4.8603650E-02 5.3017683E-02 5.7570681E-02 6.2256698E-02 6.7069918E-02


 .
 .
 .


-7.2713119E-05-5.8375557E-05-4.6861467E-05-3.7615606E-05-3.0191761E-05
-2.4231353E-05-1.9446274E-05-1.5605054E-05-1.2521749E-05-1.0046989E-05
-8.0608070E-06-6.4668511E-06-5.1877510E-06-4.1613735E-06-3.3378337E-06
-2.6770795E-06-2.1469555E-06-1.7216498E-06-1.3804413E-06-1.1066968E-06
-8.8706457E-07-7.1082678E-07-5.6937824E-07-4.5580907E-07-3.6456845E-07
-2.9119479E-07
   2
 361
   1.0000
 0.0000000E+00 1.1002891E-07 8.7399599E-07 2.9288697E-06 6.8934614E-06
 1.3368810E-05 2.2938562E-05 3.6169342E-05 5.3611115E-05 7.5797550E-05
 1.0324637E-04 1.3645971E-04 1.7592445E-04 2.2211247E-04 2.7548117E-04
 3.3647352E-04 4.0551866E-04 4.8303197E-04 5.6941551E-04 6.6505815E-04
 7.7033619E-04 8.8561326E-04 1.0112408E-03 1.1475582E-03 1.2948933E-03


 .
 .
 .


 3.2750762E-04 2.8067254E-04 2.4049879E-04 2.0604445E-04 1.7649995E-04
 1.5116953E-04 1.2945539E-04 1.1084406E-04 9.4894414E-05 8.1227707E-05
 6.9518697E-05 5.9488182E-05 5.0896524E-05 4.3538053E-05 3.7236267E-05
 3.1839743E-05 2.7218559E-05 2.3261247E-05 1.9872194E-05 1.6969365E-05
 1.4482371E-05 1.2350804E-05 1.0522800E-05 8.9538071E-06 7.6055194E-06
 6.4449650E-06
   0
 401
   1.0000
 0.0000000E+00 5.6976946E-03 1.1152531E-02 1.6370339E-02 2.1356845E-02
 2.6117664E-02 3.0658310E-02 3.4984190E-02 3.9100595E-02 4.3012738E-02
 4.6725716E-02 5.0244533E-02 5.3574078E-02 5.6719180E-02 5.9684526E-02
 6.2474746E-02 6.5094374E-02 6.7547821E-02 6.9839448E-02 7.1973518E-02
 7.3954195E-02 7.5785570E-02 7.7471636E-02 7.9016335E-02 8.0423489E-02


 .
 .
 .


-3.3374650E-05-2.6232317E-05-2.0609197E-05-1.6184411E-05-1.2704295E-05
-9.9684630E-06-7.8187195E-06-6.1302517E-06-4.8046445E-06-3.7643431E-06
-2.9482628E-06-2.3083187E-06-1.8066763E-06-1.4135829E-06-1.1056497E-06
-8.6449967E-07-6.7569931E-07-5.2791626E-07-4.1225607E-07-3.2173887E-07
-2.5088823E-07-1.9540677E-07-1.5192104E-07-1.1778072E-07-9.0900151E-08
-6.9633380E-08





******************************     hspot.out     ******************************
HERMAN-S MODIFIED POTENTIAL RV(R) ON 441 pt GRID,  IN HARTREES   IDEALLY = -ZU
441 GRID STARTS WITH dx=0.0025 AND DOUBLES AFTER   EVERY 40 POINTS.
ZINC                                                                    
  30.0000
   7
-3.0000000E+01-2.9918064E+01-2.9835667E+01-2.9752888E+01-2.9669813E+01
-2.9586510E+01-2.9503048E+01-2.9419487E+01-2.9335888E+01-2.9252296E+01
-2.9168762E+01-2.9085327E+01-2.9002037E+01-2.8918919E+01-2.8836012E+01
-2.8753342E+01-2.8670940E+01-2.8588825E+01-2.8507023E+01-2.8425547E+01
-2.8344421E+01-2.8263653E+01-2.8183266E+01-2.8103260E+01-2.8023653E+01
-2.7944448E+01-2.7865658E+01-2.7787281E+01-2.7709328E+01-2.7631802E+01
-2.7554703E+01-2.7478031E+01-2.7401794E+01-2.7325985E+01-2.7250612E+01
-2.7175663E+01-2.7101147E+01-2.7027054E+01-2.6953388E+01-2.6880142E+01
-2.6807316E+01-2.6662901E+01-2.6520117E+01-2.6378931E+01-2.6239307E+01
-2.6101213E+01-2.5964615E+01-2.5829470E+01-2.5695751E+01-2.5563416E+01
-2.5432440E+01-2.5302788E+01-2.5174431E+01-2.5047340E+01-2.4921492E+01
-2.4796860E+01-2.4673420E+01-2.4551155E+01-2.4430040E+01-2.4310061E+01
-2.4191200E+01-2.4073437E+01-2.3956762E+01-2.3841158E+01-2.3726616E+01
-2.3613110E+01-2.3500641E+01-2.3389189E+01-2.3278744E+01-2.3169285E+01
-2.3060814E+01-2.2953302E+01-2.2846748E+01-2.2741131E+01-2.2636436E+01
-2.2532654E+01-2.2429764E+01-2.2327755E+01-2.2226616E+01-2.2126324E+01
-2.2026871E+01-2.1830410E+01-2.1637117E+01-2.1446880E+01-2.1259588E+01
-2.1075138E+01-2.0893435E+01-2.0714392E+01-2.0537922E+01-2.0363960E+01
-2.0192427E+01-2.0023273E+01-1.9856426E+01-1.9691849E+01-1.9529480E+01
-1.9369287E+01-1.9211220E+01-1.9055244E+01-1.8901318E+01-1.8749413E+01
-1.8599483E+01-1.8451504E+01-1.8305435E+01-1.8161251E+01-1.8018915E+01
-1.7878395E+01-1.7739664E+01-1.7602695E+01-1.7467453E+01-1.7333881E+01
-1.7201984E+01-1.7071686E+01-1.6943007E+01-1.6815866E+01-1.6690275E+01
-1.6566128E+01-1.6443466E+01-1.6322247E+01-1.6202419E+01-1.6083971E+01
-1.5966856E+01-1.5736557E+01-1.5511250E+01-1.5290754E+01-1.5074878E+01
-1.4863441E+01-1.4656223E+01-1.4453087E+01-1.4253904E+01-1.4058437E+01
-1.3866632E+01-1.3678352E+01-1.3493467E+01-1.3311861E+01-1.3133533E+01
-1.2958385E+01-1.2786272E+01-1.2617167E+01-1.2451042E+01-1.2287796E+01
-1.2127321E+01-1.1969574E+01-1.1814525E+01-1.1662034E+01-1.1512113E+01
-1.1364658E+01-1.1219717E+01-1.1077145E+01-1.0936897E+01-1.0798868E+01
-1.0663015E+01-1.0529275E+01-1.0397654E+01-1.0267948E+01-1.0140205E+01
-1.0014351E+01-9.8903370E+00-9.7681084E+00-9.6476383E+00-9.5288677E+00
-9.4117775E+00-9.1824932E+00-8.9593964E+00-8.7424555E+00-8.5314837E+00
-8.3261681E+00-8.1264639E+00-7.9322176E+00-7.7433295E+00-7.5596161E+00
-7.3811374E+00-7.2076774E+00-7.0392127E+00-6.8756180E+00-6.7167783E+00
-6.5626101E+00-6.4130006E+00-6.2678609E+00-6.1270628E+00-5.9905939E+00
-5.8581858E+00-5.7298203E+00-5.6053700E+00-5.4847574E+00-5.3677645E+00
-5.2544613E+00-5.1446152E+00-5.0382023E+00-4.9350138E+00-4.8350391E+00
-4.7380924E+00-4.6441536E+00-4.5530305E+00-4.4647331E+00-4.3790779E+00
-4.2960386E+00-4.2154646E+00-4.1373329E+00-4.0614915E+00-3.9879193E+00
-3.9164844E+00-3.7798197E+00-3.6509056E+00-3.5292068E+00-3.4141989E+00
-3.3054299E+00-3.2024598E+00-3.1048822E+00-3.0123386E+00-2.9244695E+00
-2.8409803E+00-2.7615571E+00-2.6859679E+00-2.6139340E+00-2.5452530E+00
-2.4797018E+00-2.4171033E+00-2.3572593E+00-2.3000331E+00-2.2452455E+00
-2.1927893E+00-2.1424928E+00-2.0942771E+00-2.0479922E+00-2.0035796E+00
-1.9608784E+00-1.9198635E+00-1.8803878E+00-1.8424435E+00-1.8058659E+00
-1.7706852E+00-1.7367280E+00-1.7040478E+00-1.6724494E+00-1.6420337E+00
-1.6125866E+00-1.5842123E+00-1.5567291E+00-1.5302150E+00-1.5044987E+00
-1.4796907E+00-1.4323277E+00-1.3878486E+00-1.3460122E+00-1.3066119E+00
-1.2694116E+00-1.2342898E+00-1.2010221E+00-1.1695393E+00-1.1396275E+00
-1.1112584E+00-1.0842397E+00-1.0585792E+00-1.0340853E+00-1.0107830E+00
-1.0000000E+00-1.0000000E+00-1.0000000E+00-1.0000000E+00-1.0000000E+00


 .
 .
 .


-1.0000000E+00-1.0000000E+00-1.0000000E+00-1.0000000E+00-1.0000000E+00
-1.0000000E+00





******************************     hsall.out     ******************************
  Z  CORE VAL  ION
 30.   5   2  0.000000


THE FOLLOWING DATA IS THE MODIFIED HFS POTENTIAL, RV(R), GIVEN AT THE 441 POINTS OF THE MESH IDEALLY = -2Z*U/
 -6.0000000E+01-5.9836128E+01-5.9671333E+01-5.9505775E+01-5.9339626E+01 Z 30   1
 -5.9173019E+01-5.9006096E+01-5.8838974E+01-5.8671776E+01-5.8504593E+01 Z 30   2
 -5.8337524E+01-5.8170654E+01-5.8004074E+01-5.7837837E+01-5.7672024E+01 Z 30   3
 -5.7506683E+01-5.7341881E+01-5.7177650E+01-5.7014046E+01-5.6851093E+01 Z 30   4
 -5.6688843E+01-5.6527306E+01-5.6366531E+01-5.6206520E+01-5.6047306E+01 Z 30   5
 -5.5888897E+01-5.5731316E+01-5.5574562E+01-5.5418655E+01-5.5263603E+01 Z 30   6
 -5.5109406E+01-5.4956062E+01-5.4803589E+01-5.4651970E+01-5.4501225E+01 Z 30   7
 -5.4351326E+01-5.4202293E+01-5.4054108E+01-5.3906776E+01-5.3760284E+01 Z 30   8
 -5.3614632E+01-5.3325802E+01-5.3040234E+01-5.2757862E+01-5.2478615E+01 Z 30   9


 .
 .
 .


 -2.0000000E+00-2.0000000E+00-2.0000000E+00-2.0000000E+00-2.0000000E+00 Z 30  88
 -2.0000000E+00                                                         Z 30  89



 THE FOLLOWING DATA IS THE NORMALIZED RADIAL WAVE FUNCTION FOR ORBITAL 100 , OUT TO MESH POINT 201

 100    201          0       -6.9069434E+02 2.0000000E+00 3.2288803E+02

  0.0000000E+00 2.2513790E-01 4.4075802E-01 6.4716476E-01 8.4465355E-01 Z 30   1
  1.0335121E+00 1.2140198E+00 1.3864475E+00 1.5510595E+00 1.7081113E+00 Z 30   2
  1.8578517E+00 2.0005224E+00 2.1363578E+00 2.2655857E+00 2.3884270E+00 Z 30   3
  2.5050960E+00 2.6158013E+00 2.7207456E+00 2.8201241E+00 2.9141276E+00 Z 30   4
  3.0029409E+00 3.0867429E+00 3.1657076E+00 3.2400041E+00 3.3097956E+00 Z 30   5


 .
 .
 .


  8.3896939E-06 6.2454792E-06 4.6484547E-06 3.4592242E-06 2.5738293E-06 Z 30  36
  1.9147644E-06 1.4242586E-06 1.0592614E-06 7.8770114E-07 5.8568799E-07 Z 30  37
  4.3543207E-07 3.2368754E-07 2.4059426E-07 1.7881339E-07 1.3288376E-07 Z 30  38
  9.8741943E-08 7.3365072E-08 5.4504611E-08 4.0488231E-08 3.0072279E-08 Z 30  39
  2.2331969E-08 1.6579646E-08 1.2303971E-08 9.1246548E-09 6.7587673E-09 Z 30  40
  4.9956608E-09                                                         Z 30  41



 THE FOLLOWING DATA IS THE NORMALIZED RADIAL WAVE FUNCTION FOR ORBITAL 200 , OUT TO MESH POINT 241

 200    241          0       -8.3256607E+01 2.0000000E+00 9.9275421E+01

  0.0000000E+00 6.9217511E-02 1.3548759E-01 1.9888382E-01 2.5947821E-01 Z 30   1
  3.1734151E-01 3.7254292E-01 4.2515016E-01 4.7522971E-01 5.2284652E-01 Z 30   2
  5.6806433E-01 6.1094534E-01 6.5155071E-01 6.8994009E-01 7.2617203E-01 Z 30   3
  7.6030374E-01 7.9239106E-01 8.2248896E-01 8.5065085E-01 8.7692946E-01 Z 30   4
  9.0137583E-01 9.2404026E-01 9.4497198E-01 9.6421880E-01 9.8182786E-01 Z 30   5


 .
 .
 .


 -8.7374641E-04-7.1289501E-04-5.8154628E-04-4.7431450E-04-3.8679087E-04 Z 30  44
 -3.1536818E-04-2.5709582E-04-2.0956130E-04-1.7079264E-04-1.3917846E-04 Z 30  45
 -1.1340235E-04-9.2389193E-05-7.5261130E-05-6.1301558E-05-4.9925577E-05 Z 30  46
 -4.0655923E-05-3.3103195E-05-2.6949745E-05-2.1936470E-05-1.7852055E-05 Z 30  47
 -1.4524161E-05-1.1812230E-05-9.6016147E-06-7.7987816E-06-6.3273824E-06 Z 30  48
 -5.1250572E-06                                                         Z 30  49



 THE FOLLOWING DATA IS THE NORMALIZED RADIAL WAVE FUNCTION FOR ORBITAL 210 , OUT TO MESH POINT 241

 210    241          1       -7.3506866E+01 6.0000000E+00 7.8023242E+02

  0.0000000E+00 3.9168698E-04 1.5501152E-03 3.4507613E-03 6.0696620E-03 Z 30   1
  9.3834009E-03 1.3369106E-02 1.8004427E-02 2.3267535E-02 2.9137108E-02 Z 30   2
  3.5592325E-02 4.2612858E-02 5.0178841E-02 5.8270890E-02 6.6870078E-02 Z 30   3
  7.5957917E-02 8.5516378E-02 9.5527843E-02 1.0597513E-01 1.1684147E-01 Z 30   4
  1.2811050E-01 1.3976622E-01 1.5179305E-01 1.6417579E-01 1.7689961E-01 Z 30   5


 .
 .
 .


  9.7195694E-04 8.0196070E-04 6.6160341E-04 5.4573861E-04 4.5010875E-04 Z 30  44
  3.7119249E-04 3.0607849E-04 2.5236022E-04 2.0804907E-04 1.7150221E-04 Z 30  45
  1.4136253E-04 1.1650941E-04 9.6017597E-05 7.9123245E-05 6.5195920E-05 Z 30  46
  5.3715314E-05 4.4252152E-05 3.6452195E-05 3.0023230E-05 2.4724195E-05 Z 30  47
  2.0356234E-05 1.6755306E-05 1.3786081E-05 1.1336892E-05 9.3155650E-06 Z 30  48
  7.6459855E-06                                                         Z 30  49



 THE FOLLOWING DATA IS THE NORMALIZED RADIAL WAVE FUNCTION FOR ORBITAL 300 , OUT TO MESH POINT 321

 300    321          0       -9.2151709E+00 2.0000000E+00 3.8186325E+01

  0.0000000E+00 2.6624389E-02 5.2114055E-02 7.6496363E-02 9.9798165E-02 Z 30   1
  1.2204579E-01 1.4326508E-01 1.6348143E-01 1.8271962E-01 2.0100410E-01 Z 30   2
  2.1835873E-01 2.3480695E-01 2.5037172E-01 2.6507559E-01 2.7894056E-01 Z 30   3
  2.9198828E-01 3.0423999E-01 3.1571636E-01 3.2643777E-01 3.3642411E-01 Z 30   4
  3.4569499E-01 3.5426947E-01 3.6216632E-01 3.6940384E-01 3.7599999E-01 Z 30   5


 .
 .
 .


  8.5205556E-06 6.4982919E-06 4.9554856E-06 3.7785960E-06 2.8809350E-06 Z 30  60
  2.1963242E-06 1.6742521E-06 1.2761678E-06 9.7265411E-07 7.4126569E-07 Z 30  61
  5.6487863E-07 4.3043056E-07 3.2795811E-07 2.4986269E-07 1.9034985E-07 Z 30  62
  1.4500105E-07 1.1044744E-07 8.4120714E-08 6.4062931E-08 4.8781605E-08 Z 30  63
  3.7139049E-08 2.8268072E-08 2.1507573E-08 1.6353502E-08 1.2421404E-08 Z 30  64
  9.4178398E-09                                                         Z 30  65



 THE FOLLOWING DATA IS THE NORMALIZED RADIAL WAVE FUNCTION FOR ORBITAL 310 , OUT TO MESH POINT 321

 310    321          1       -6.1111856E+00 6.0000000E+00 2.9643668E+02

  0.0000000E+00 1.4881454E-04 5.8893271E-04 1.3110195E-03 2.3059410E-03 Z 30   1
  3.5647608E-03 5.0787381E-03 6.8393205E-03 8.8381451E-03 1.1067033E-02 Z 30   2
  1.3517984E-02 1.6183177E-02 1.9054966E-02 2.2125868E-02 2.5388576E-02 Z 30   3
  2.8835947E-02 3.2460995E-02 3.6256880E-02 4.0216945E-02 4.4334657E-02 Z 30   4
  4.8603650E-02 5.3017683E-02 5.7570681E-02 6.2256698E-02 6.7069918E-02 Z 30   5


 .
 .
 .


 -7.2713119E-05-5.8375557E-05-4.6861467E-05-3.7615606E-05-3.0191761E-05 Z 30  60
 -2.4231353E-05-1.9446274E-05-1.5605054E-05-1.2521749E-05-1.0046989E-05 Z 30  61
 -8.0608070E-06-6.4668511E-06-5.1877510E-06-4.1613735E-06-3.3378337E-06 Z 30  62
 -2.6770795E-06-2.1469555E-06-1.7216498E-06-1.3804413E-06-1.1066968E-06 Z 30  63
 -8.8706457E-07-7.1082678E-07-5.6937824E-07-4.5580907E-07-3.6456845E-07 Z 30  64
 -2.9119479E-07                                                         Z 30  65



 THE FOLLOWING DATA IS THE NORMALIZED RADIAL WAVE FUNCTION FOR ORBITAL 320 , OUT TO MESH POINT 361

 320    361          2       -8.5089433E-01 1.0000000E+01 3.0659680E+02

  0.0000000E+00 1.1002891E-07 8.7399599E-07 2.9288697E-06 6.8934614E-06 Z 30   1
  1.3368810E-05 2.2938562E-05 3.6169342E-05 5.3611115E-05 7.5797550E-05 Z 30   2
  1.0324637E-04 1.3645971E-04 1.7592445E-04 2.2211247E-04 2.7548117E-04 Z 30   3
  3.3647352E-04 4.0551866E-04 4.8303197E-04 5.6941551E-04 6.6505815E-04 Z 30   4
  7.7033619E-04 8.8561326E-04 1.0112408E-03 1.1475582E-03 1.2948933E-03 Z 30   5


 .
 .
 .


  3.2750762E-04 2.8067254E-04 2.4049879E-04 2.0604445E-04 1.7649995E-04 Z 30  68
  1.5116953E-04 1.2945539E-04 1.1084406E-04 9.4894414E-05 8.1227707E-05 Z 30  69
  6.9518697E-05 5.9488182E-05 5.0896524E-05 4.3538053E-05 3.7236267E-05 Z 30  70
  3.1839743E-05 2.7218559E-05 2.3261247E-05 1.9872194E-05 1.6969365E-05 Z 30  71
  1.4482371E-05 1.2350804E-05 1.0522800E-05 8.9538071E-06 7.6055194E-06 Z 30  72
  6.4449650E-06                                                         Z 30  73



 THE FOLLOWING DATA IS THE NORMALIZED RADIAL WAVE FUNCTION FOR ORBITAL 400 , OUT TO MESH POINT 401

 400    401          0       -5.3144532E-01 2.0000000E+00 8.1719866E+00

  0.0000000E+00 5.6976946E-03 1.1152531E-02 1.6370339E-02 2.1356845E-02 Z 30   1
  2.6117664E-02 3.0658310E-02 3.4984190E-02 3.9100595E-02 4.3012738E-02 Z 30   2
  4.6725716E-02 5.0244533E-02 5.3574078E-02 5.6719180E-02 5.9684526E-02 Z 30   3
  6.2474746E-02 6.5094374E-02 6.7547821E-02 6.9839448E-02 7.1973518E-02 Z 30   4
  7.3954195E-02 7.5785570E-02 7.7471636E-02 7.9016335E-02 8.0423489E-02 Z 30   5


 .
 .
 .


 -3.3374650E-05-2.6232317E-05-2.0609197E-05-1.6184411E-05-1.2704295E-05 Z 30  76
 -9.9684630E-06-7.8187195E-06-6.1302517E-06-4.8046445E-06-3.7643431E-06 Z 30  77
 -2.9482628E-06-2.3083187E-06-1.8066763E-06-1.4135829E-06-1.1056497E-06 Z 30  78
 -8.6449967E-07-6.7569931E-07-5.2791626E-07-4.1225607E-07-3.2173887E-07 Z 30  79
 -2.5088823E-07-1.9540677E-07-1.5192104E-07-1.1778072E-07-9.0900151E-08 Z 30  80
 -6.9633380E-08                                                         Z 30  81
1


 TOTAL CHARGE DENSITY OUTPUT


  0.0000000E+00 1.1243998E-01 4.3094605E-01 9.2907512E-01 1.5826217E+00 T 30   1
  2.3694651E+00 3.2694213E+00 4.2641048E+00 5.3368049E+00 6.4723601E+00 T 30   2
  7.6570454E+00 8.8784723E+00 1.0125483E+01 1.1388068E+01 1.2657257E+01 T 30   3
  1.3925061E+01 1.5184402E+01 1.6429010E+01 1.7653385E+01 1.8852720E+01 T 30   4
  2.0022867E+01 2.1160244E+01 2.2261827E+01 2.3325087E+01 2.4347923E+01 T 30   5


 .
 .
 .


  2.2277347E-09 1.3762690E-09 8.4947804E-10 5.2387034E-10 3.2279823E-10 T 30  76
  1.9874051E-10 1.2226475E-10 7.5159969E-11 4.6169218E-11 2.8340557E-11 T 30  77
  1.7384507E-11 1.0656671E-11 6.5281587E-12 3.9964334E-12 2.4449227E-12 T 30  78
  1.4947194E-12 9.1313914E-13 5.5739116E-13 3.3991015E-13 2.0703179E-13 T 30  79
  1.2588982E-13 7.6367610E-14 4.6160006E-14 2.7744596E-14 1.6525675E-14 T 30  80
  9.6976150E-15 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 T 30  81
  0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 T 30  82
  0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 T 30  83
  0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 T 30  84
  0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 T 30  85
  0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 T 30  86
  0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 T 30  87
  0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 T 30  88
  0.0000000E+00                                                         T 30  89
1


 CORE CHARGE DENSITY OUTPUT


  0.0000000E+00 1.1243998E-01 4.3094605E-01 9.2907512E-01 1.5826217E+00 C 30   1
  2.3694651E+00 3.2694213E+00 4.2641048E+00 5.3368049E+00 6.4723601E+00 C 30   2
  7.6570454E+00 8.8784723E+00 1.0125483E+01 1.1388068E+01 1.2657257E+01 C 30   3
  1.3925061E+01 1.5184402E+01 1.6429010E+01 1.7653385E+01 1.8852720E+01 C 30   4
  2.0022867E+01 2.1160244E+01 2.2261827E+01 2.3325087E+01 2.4347923E+01 C 30   5


 .
 .
 .


  2.2277347E-09 1.3762690E-09 8.4947804E-10 5.2387034E-10 3.2279823E-10 C 30  76
  1.9874051E-10 1.2226475E-10 7.5159969E-11 4.6169218E-11 2.8340557E-11 C 30  77
  1.7384507E-11 1.0656671E-11 6.5281587E-12 3.9964334E-12 2.4449227E-12 C 30  78
  1.4947194E-12 9.1313914E-13 5.5739116E-13 3.3991015E-13 2.0703179E-13 C 30  79
  1.2588982E-13 7.6367610E-14 4.6160006E-14 2.7744596E-14 1.6525675E-14 C 30  80
  9.6976150E-15 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 C 30  81
  0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 C 30  82
  0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 C 30  83
  0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 C 30  84
  0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 C 30  85
  0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 C 30  86
  0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 C 30  87
  0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 C 30  88
  0.0000000E+00                                                         C 30  89

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