The ABINIT Users Mailing List ( CLOSED )

[Andrew Rappe <rappe@sas.upenn.edu>]

Dear Laurent and Resul,

In the OPIUM code, you can make a semicore indium potential.  You
mention wanting 4p6 4d10 5s2 5p1.  However, I have found that when you
add a core-like p subshell, you should also add the s for good
results.  So why don't you try 4s2 4p6 4d10 5s2 5p1 ?

You would use the +3 reference config, but then you can test other
configs up to neutral, and adjust transferability with the
augmentation function we developed.

Andrew M. Rappe

On Wed, Nov 22, 2006 at 02:12:40PM +0200 or thereabouts, Resul Eryigit wrote:
> 
> dear laurent,
> in case you have not found the answer:
> you need to construct one pseduopotential for each angular momentum type, 
> not for each valence orbital.
> abinit cant use psps with more than one projector per angular momentum 
> channel. probably you need 5p0 and
> make sure that the last 5 lines of your fhipp input are what you really 
> want; especially lmax=3
> 
> resul
> 
> 
> >
> >Dear ABINIT,
> >
> >I am working on InAs/InP.
> >
> >I would like to generate properly the Indium's pseudo potential.
> >
> >I did the test for In (4d10,5s2,5p1) and P (3s2,3p3).
> >Apparently, everything is correct, I mean I don't have any ghost state.
> >And more than that I could found a good lattice parameter(InP) ao=5.884A. 
> >I mean close to the experimental value 5.86A.
> >
> >Here is my problem, when I tried to add 4p6 at In (4p6,4d10,5s2,5p1). 
> >Before doing my test on the lattice parameter, I checked that I generated 
> >the pseudo potential without ghost states.
> >However, I calculated a bad lattice parameter ao.
> >
> >Below, you can check if there is a mistake somewhere on my files eg 
> >In_4_p6_4_d10_5_s2_5_p1.LDA.ini, 
> >In_4_p6_4_d10_5_s2_5_p1.LDA.rs_1.50_rp_2.38_rd_3.20_rf_4.20.dat, 
> >In_4_p6_4_d10_5_s2_5_p1.LDA.rs_1.50_rp_2.38_rd_3.20_rf_4.20.test, 
> >xv.In_4_p6_4_d10_5_s2_5_p1.LDA.rs_1.50_rp_2.38_rd_3.20_rf_4.20.lder_sd.agr
> >
> >Do you have an idea?
> >
> >Best Regards,
> >
> >Laurent PEDESSEAU
> >
> >PostDoc SANDIE network
> >INSA RENNES
> >
> >--> In_4_p6_4_d10_5_s2_5_p1.LDA.ini
> >
> >49.00 7 4 8 0.00 : z nc nv
> >   1  0   2.00      : n  l   f
> >   2  0   2.00
> >   2  1   6.00
> >   3  0   2.00
> >   3  1   6.00
> >   3  2  10.00
> >   4  0   2.00
> >   4  1   6.00
> >   4  2  10.00
> >   5  0   2.00
> >   5  1   1.00
> >3 "t"                  : lmax  s_pp_def
> >0 1.500 0 "t"
> >1 2.385 0 "t"
> >2 3.200 0 "t"
> >3 4.200 0 "t"
> >
> >
> >--> In_4_p6_4_d10_5_s2_5_p1.LDA.rs_1.50_rp_2.38_rd_3.20_rf_4.20.dat
> >
> >#info /home/lens/bin/psgen 
> >In_4_p6_4_d10_5_s2_5_p1.LDA.rs_1.50_rp_2.38_rd_3.20_rf_4.20 10:48:26 nov 
> >17 2006 lens
> >
> >fhi pseudopotential tool fhipp - version rev270603B
> >
> >              chemical symbol  In
> >               nuclear charge  49.00
> >                 total charge   0.00
> >        number of core states   7
> >     number of valence states   4
> >   exchange-correlation model   8  LDA CA Perdew/Wang 1991
> >     scalar-relativistic mode
> >       parameters radial mesh   547    1.024700  0.127551E-03
> >
> >      === all-electron atom ===
> >
> ><        n     l      occupation  eigenvalue(eV)
> >
> ><  1     1     0        2.0000       -27721.3622         -1018.7333
> ><  2     2     0        2.0000        -4151.5905          -152.5669
> ><  3     2     1        6.0000        -3728.6093          -137.0228
> ><  4     3     0        2.0000         -787.2631           -28.9312
> ><  5     3     1        6.0000         -648.7377           -23.8405
> ><  6     3     2       10.0000         -433.0084           -15.9126
> ><  7     4     0        2.0000         -119.4680            -4.3903
> ><  8     4     1        6.0000          -78.0526            -2.8684
> ><  9     4     2       10.0000          -18.7176            -0.6879
> >< 10     5     0        2.0000           -8.4821            -0.3117
> >< 11     5     1        1.0000           -2.6980            -0.0992
> >
> >                                 (Hartree a.u.)
> >                 total energy       -5876.44709
> >               kinetic energy        6123.43633
> >               orbital energy       -3558.36071
> >               coulomb energy      -14214.01105
> >               hartree energy        2368.38481
> >  exchange-correlation energy        -154.25718
> >          xc potential energy        -204.55561
> >         number of iterations                24   convergence  0.0E+00
> >          core kinetic energy        5911.71359
> >          core orbital energy       -3533.54945
> >        core potential energy       -9445.26304
> >           integrated density          49.00000
> > ... 1st derivative test 1 =            1.00000
> > ... 2nd derivative test 1 =            1.00000
> >
> >fhipp - all-electron atom done
> >
> >   === TROULLIER-MARTINS mode ===  t
> >
> > l  n     radius:     node      peak       default core
> >x 0  5                1.012      2.105      2.440
> >x 1  4                0.410      0.813      2.540
> >x 2  4                0.401      0.918      2.340
> >x 3  4                0.000      0.000      2.340
> >
> >   === pseudo atom ===
> >
> > l  type  rcore       rmatch          eigenvalue(eV)      norm test 
> >slope test
> >                                all-electron     pseudo     1 =         1 
> >=
> > 0  t     1.4956523   1.5325949  -8.4821128  -8.4819267   1.0000203 
> >1.0000993
> > 1  t     2.3777633   2.4364941 -78.0526143 -78.0526301   1.0000170 
> >0.9999900
> > 1  troullier-martins                               -2.6980305  -2.1358889 
> >(excited state!)
> > 2  t     3.1866140   3.2653234 -18.7176145 -18.7176471   1.0000034 
> >1.0000005
> > 3  t     4.1676723   4.2706138  -2.6980305  -2.6980368   0.9999986 
> >0.9999986
> >
> > --- linearized core-valence XC ---
> >       c-v equidensity radius           0.62137
> >
> >                                 (Hartree a.u.)
> >                 total energy        -136.54750
> >               kinetic energy          50.57329
> >             potential energy        -290.34474
> >               hartree energy         115.64401
> >                    xc energy         -12.42007
> >                     c energy          -1.20175
> >   integrated valence density          19.00000
> >  ... 1st derivative test 1 =           1.00000
> >  ... 2nd derivative test 1 =           1.00000
> >   coulomb tail beyond radius           1.460     (tolerance  1.0E-03)
> >                 y range plot       -25   1   6
> >
> >fhipp - done for input @
> >
> >@ 49.00  7  4  8 0.00E+00 : z nc nv iexc rnlc
> >@     1  0   2.00         : n l f
> >@     2  0   2.00
> >@     2  1   6.00
> >@     3  0   2.00
> >@     3  1   6.00
> >@     3  2  10.00
> >@     4  0   2.00
> >@     4  1   6.00
> >@     4  2  10.00
> >@     5  0   2.00
> >@     5  1   1.00
> >@ 3  t                   : ltmx spptype
> >@ 0   1.50  0.00E+00  t  : lt rct et spptype
> >@ 1   2.38  0.00E+00  t
> >@ 2   3.20  0.00E+00  t
> >@ 3   4.20  0.00E+00  t
> >
> >--> In_4_p6_4_d10_5_s2_5_p1.LDA.rs_1.50_rp_2.38_rd_3.20_rf_4.20.test
> >
> >#info /home/lens/bin/pswatch 
> >In_4_p6_4_d10_5_s2_5_p1.LDA.rs_1.50_rp_2.38_rd_3.20_rf_4.20 10:48:38 nov 
> >17 2006 lens
> >
> >fhi pseudopotential tool pslp - version rev270603B
> >
> >              chemical symbol  In
> >               nuclear charge  49.00
> >  number of valence electrons  19.00
> >     number of valence states   4
> >   exchange-correlation model   8  LDA CA Perdew/Wang 1991
> >       parameters radial mesh   547    1.024700  0.127551E-03
> > input pseudopotentials up to   f
> >
> >         === pseudo atom (Hartree a.u.) ===
> >
> ><        n     l   occupation  eigenvalue(eV)  potential energy
> ><  1     2     1      6.0000      -78.5352       -19.35563
> ><  2     3     2     10.0000      -19.1910       -15.18402
> ><  3     1     0      2.0000       -8.8219        -8.14377
> ><  4     3     1      1.0000       -2.3729        -5.74541
> >
> >                 total energy    -136.54717
> >               kinetic energy      50.53674
> > ionic pseudopotential energy    -290.00689
> >               hartree energy     115.32368
> >                    xc energy     -12.40070
> >       local potential energy    -234.83537
> >          xc potential energy     -16.28186
> >   integrated valence density      19.00000
> >         number of iterations            24   convergence  0.0E+00
> >                 y range plot       -25   1   6
> >
> >pslp - pseudoatom done - now testing
> >
> >--- assuming scalar-relativistic all-electron atom ---
> >
> >--- f component taken as local potential ---
> >--- input wavefunctions used for kb potentials ---
> >
> >--- kb potentials: spectrum of bound states (eV) ---
> >
> >           l          e0            e1            e2
> >semilocal   0       -8.8202       -0.4134        0.0000
> >nonlocal    0       -8.8202       -0.4122        0.0000
> >semilocal   1      -78.5352       -2.3723        0.0000
> >nonlocal    1      -78.5352       -2.3931        0.0000
> >semilocal   2      -19.1909        0.0000        0.0000
> >nonlocal    2      -19.1910        0.0000        0.0000
> >
> >--- analysis of kb potentials: s waves  ---
> >
> >* no ghost (ekb > 0, eloc0 < eref < eloc1)
> >
> >                    kb cosine        0.0114
> >                    kb energy     2792.7310 eV      ekb
> >  local potential groundstate      -17.9796 eV    eloc0
> >       dto. 1st excited state       -1.5606 eV    eloc1
> >             reference energy       -8.8219 eV     eref
> >
> >--- analysis of kb potentials: p waves  ---
> >
> >* no ghost (ekb < 0, eref < eloc0)
> >
> >                    kb cosine       -0.9131
> >                    kb energy     -155.9269 eV      ekb
> >  local potential groundstate       -6.3904 eV    eloc0
> >       dto. 1st excited state       -0.0731 eV    eloc1
> >             reference energy      -78.5352 eV     eref
> >
> >--- analysis of kb potentials: d waves  ---
> >
> >& dftseq - no bound state found (iter): e=>0 n l           3           2
> >note: for the local potential no bound d state is
> >      found, the ghost state analysis will assume
> >      a zero groundstate energy (variable eloc0)
> >
> >& dftseq - no bound state found (iter): e=>0 n l           4           2
> >note: for the local potential no bound excited d state
> >      is found, the ghost state analysis will assume
> >      a zero 1st excited state energy (variable eloc1)
> >
> >* no ghost (ekb < 0, eref < eloc0)
> >
> >                    kb cosine       -0.8207
> >                    kb energy     -106.6908 eV      ekb
> >  local potential groundstate        0.0000 eV    eloc0
> >       dto. 1st excited state        0.0000 eV    eloc1
> >             reference energy       -2.3729 eV     eref
> >
> >--- logarithmic derivatives: at radius = 3.6001 ---
> >
> >--- nonlocal potentials ---
> >--- all-electron potential ---
> >--- semilocal potentials ---
> >
> >--- kinetic energy convergence in momentum space ---
> >
> >    l  n  bracket   cutoff    norm   kinet. energy
> >           (eV)      (Ry)               (Hartree)
> >ck   0     1.0E+00     24   0.997442   0.285979E+00
> >ck   0     1.0E-01     35   0.999873   0.318233E+00
> >ck   0     1.0E-02    130   0.999996   0.321317E+00
> >ck   0     1.0E-03    158   1.000001   0.321663E+00
> >cx   0  1                   1.000000   0.321672E+00
> >
> >ck   1     1.0E+00     25   0.996759   0.309852E+01
> >ck   1     1.0E-01     32   0.999796   0.313007E+01
> >ck   1     1.0E-02     50   0.999986   0.313278E+01
> >ck   1     1.0E-03     74   0.999999   0.313311E+01
> >cx   1  2                   1.000000   0.313314E+01
> >
> >ck   1     1.0E+00     18   0.996866   0.324904E+00
> >ck   1     1.0E-01     30   0.999777   0.355757E+00
> >ck   1     1.0E-02     38   0.999983   0.359009E+00
> >ck   1     1.0E-03     44   0.999999   0.359323E+00
> >cx   1  3                   1.000000   0.359359E+00
> >
> >ck   2     1.0E+00     21   0.995864   0.303708E+01
> >ck   2     1.0E-01     28   0.999692   0.306985E+01
> >ck   2     1.0E-02     34   0.999983   0.307322E+01
> >ck   2     1.0E-03     56   0.999999   0.307348E+01
> >cx   2  3                   1.000000   0.307352E+01
> >
> >--- coulomb tail of pseudopotentials ---
> >    Tolerance 1.0E-03 is met for
> >    l= 1 at radii >   2.558
> >    l= 2 at radii >   2.558
> >    l= 3 at radii >   3.110
> >    l= 4 at radii >   3.969
> >
> >--- done & exiting ---
> >
> >--> 
> >xv.In_4_p6_4_d10_5_s2_5_p1.LDA.rs_1.50_rp_2.38_rd_3.20_rf_4.20.lder_sd.agr
> >
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> >@ with g2
> >@ g2 on
> >@ subtitle "In_4_p6_4_d10_5_s2_5_p1.LDA.rs_1.50_rp_2.38_rd_3.20_rf_4.20 
> >10:48:38 nov 17 2006 lens r=3.6001 loc f"
> >@ with g0
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> >&
> >-0.2000000E+01  0.5633218E+01
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> > 0.1993000E+01 -0.7656817E+01
> >&
> >-0,293992 -19
> >&
> >@ with g1
> >@ g1 on
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> >&
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> >&
> >-0.2000000E+01  0.5821131E+01
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> > 0.6040000E+00  0.9059508E+01
> > 0.6070000E+00  0.8947009E+01
> > 0.6100000E+00  0.8836992E+01
> > 0.6130000E+00  0.8729365E+01
> > 0.6160000E+00  0.8624042E+01
> > 0.6190000E+00  0.8520940E+01
> > 0.6220000E+00  0.8419982E+01
> > 0.6250000E+00  0.8321092E+01
> > 0.6280000E+00  0.8224198E+01
> > 0.6310000E+00  0.8129232E+01
> > 0.6340000E+00  0.8036130E+01
> > 0.6370000E+00  0.7944828E+01
> > 0.6400000E+00  0.7855267E+01
> > 0.6430000E+00  0.7767391E+01
> > 0.6460000E+00  0.7681143E+01
> > 0.6490000E+00  0.7596472E+01
> > 0.6520000E+00  0.7513329E+01
> > 0.6550000E+00  0.7431663E+01
> > 0.6580000E+00  0.7351431E+01
> > 0.6610000E+00  0.7272587E+01
> > 0.6640000E+00  0.7195089E+01
> > 0.6670000E+00  0.7118895E+01
> > 0.6700000E+00  0.7043968E+01
> > 0.6730000E+00  0.6970269E+01
> > 0.6760000E+00  0.6897762E+01
> > 0.6790000E+00  0.6826413E+01
> > 0.6820000E+00  0.6756187E+01
> > 0.6850000E+00  0.6687053E+01
> > 0.6880000E+00  0.6618978E+01
> > 0.6910000E+00  0.6551935E+01
> > 0.6940000E+00  0.6485893E+01
> > 0.6970000E+00  0.6420825E+01
> > 0.7000000E+00  0.6356704E+01
> > 0.7030000E+00  0.6293504E+01
> > 0.7060000E+00  0.6231201E+01
> > 0.7090000E+00  0.6169769E+01
> > 0.7120000E+00  0.6109187E+01
> > 0.7150000E+00  0.6049431E+01
> > 0.7180000E+00  0.5990480E+01
> > 0.7210000E+00  0.5932313E+01
> > 0.7240000E+00  0.5874909E+01
> > 0.7270000E+00  0.5818249E+01
> > 0.7300000E+00  0.5762314E+01
> > 0.7330000E+00  0.5707086E+01
> > 0.7360000E+00  0.5652547E+01
> > 0.7390000E+00  0.5598680E+01
> > 0.7420000E+00  0.5545467E+01
> > 0.7450000E+00  0.5492894E+01
> > 0.7480000E+00  0.5440943E+01
> > 0.7510000E+00  0.5389601E+01
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> > 0.7570000E+00  0.5288684E+01
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> > 0.7750000E+00  0.4999090E+01
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> > 0.7930000E+00  0.4727203E+01
> > 0.7960000E+00  0.4683446E+01
> > 0.7990000E+00  0.4640107E+01
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> > 0.8050000E+00  0.4554649E+01
> > 0.8080000E+00  0.4512512E+01
> > 0.8110000E+00  0.4470759E+01
> > 0.8140000E+00  0.4429380E+01
> > 0.8170000E+00  0.4388369E+01
> > 0.8200000E+00  0.4347717E+01
> > 0.8230000E+00  0.4307416E+01
> > 0.8260000E+00  0.4267460E+01
> > 0.8290000E+00  0.4227840E+01
> > 0.8320000E+00  0.4188550E+01
> > 0.8350000E+00  0.4149584E+01
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> > 0.8410000E+00  0.4072592E+01
> > 0.8440000E+00  0.4034554E+01
> > 0.8470000E+00  0.3996813E+01
> > 0.8500000E+00  0.3959364E+01
> > 0.8530000E+00  0.3922199E+01
> > 0.8560000E+00  0.3885313E+01
> > 0.8590000E+00  0.3848701E+01
> > 0.8620000E+00  0.3812357E+01
> > 0.8650000E+00  0.3776276E+01
> > 0.8680000E+00  0.3740451E+01
> > 0.8710000E+00  0.3704880E+01
> > 0.8740000E+00  0.3669555E+01
> > 0.8770000E+00  0.3634472E+01
> > 0.8800000E+00  0.3599627E+01
> > 0.8830000E+00  0.3565015E+01
> > 0.8860000E+00  0.3530630E+01
> > 0.8890000E+00  0.3496470E+01
> > 0.8920000E+00  0.3462528E+01
> > 0.8950000E+00  0.3428802E+01
> > 0.8980000E+00  0.3395286E+01
> > 0.9010000E+00  0.3361977E+01
> > 0.9040000E+00  0.3328871E+01
> > 0.9070000E+00  0.3295963E+01
> > 0.9100000E+00  0.3263250E+01
> > 0.9130000E+00  0.3230728E+01
> > 0.9160000E+00  0.3198393E+01
> > 0.9190000E+00  0.3166242E+01
> > 0.9220000E+00  0.3134272E+01
> > 0.9250000E+00  0.3102478E+01
> > 0.9280000E+00  0.3070857E+01
> > 0.9310000E+00  0.3039406E+01
> > 0.9340000E+00  0.3008122E+01
> > 0.9370000E+00  0.2977001E+01
> > 0.9400000E+00  0.2946041E+01
> > 0.9430000E+00  0.2915238E+01
> > 0.9460000E+00  0.2884589E+01
> > 0.9490000E+00  0.2854092E+01
> > 0.9520000E+00  0.2823743E+01
> > 0.9550000E+00  0.2793539E+01
> > 0.9580000E+00  0.2763478E+01
> > 0.9610000E+00  0.2733558E+01
> > 0.9640000E+00  0.2703774E+01
> > 0.9670000E+00  0.2674125E+01
> > 0.9700000E+00  0.2644609E+01
> > 0.9730000E+00  0.2615221E+01
> > 0.9760000E+00  0.2585961E+01
> > 0.9790000E+00  0.2556826E+01
> > 0.9820000E+00  0.2527812E+01
> > 0.9850000E+00  0.2498919E+01
> > 0.9880000E+00  0.2470143E+01
> > 0.9910000E+00  0.2441482E+01
> > 0.9940000E+00  0.2412934E+01
> > 0.9970000E+00  0.2384497E+01
> > 0.1000000E+01  0.2356168E+01
> > 0.1003000E+01  0.2327946E+01
> > 0.1033000E+01  0.2051136E+01
> > 0.1063000E+01  0.1782869E+01
> > 0.1093000E+01  0.1521504E+01
> > 0.1123000E+01  0.1265617E+01
> > 0.1153000E+01  0.1013962E+01
> > 0.1183000E+01  0.7654275E+00
> > 0.1213000E+01  0.5190150E+00
> > 0.1243000E+01  0.2738113E+00
> > 0.1273000E+01  0.2897054E-01
> > 0.1303000E+01 -0.2163020E+00
> > 0.1333000E+01 -0.4627639E+00
> > 0.1363000E+01 -0.7111475E+00
> > 0.1393000E+01 -0.9621712E+00
> > 0.1423000E+01 -0.1216549E+01
> > 0.1453000E+01 -0.1475000E+01
> > 0.1483000E+01 -0.1738257E+01
> > 0.1513000E+01 -0.2007079E+01
> > 0.1543000E+01 -0.2282253E+01
> > 0.1573000E+01 -0.2564614E+01
> > 0.1603000E+01 -0.2855047E+01
> > 0.1633000E+01 -0.3154504E+01
> > 0.1663000E+01 -0.3464013E+01
> > 0.1693000E+01 -0.3784698E+01
> > 0.1723000E+01 -0.4117791E+01
> > 0.1753000E+01 -0.4464655E+01
> > 0.1783000E+01 -0.4826805E+01
> > 0.1813000E+01 -0.5205939E+01
> > 0.1843000E+01 -0.5603967E+01
> > 0.1873000E+01 -0.6023053E+01
> > 0.1903000E+01 -0.6465664E+01
> > 0.1933000E+01 -0.6934629E+01
> > 0.1963000E+01 -0.7433208E+01
> > 0.1993000E+01 -0.7965191E+01
> >&
> >-2,86642 -19
> >&
> >-0,0734981 -19
> >&
> >@ with g2
> >@ g2 on
> >-0.2000000E+01  0.6176256E+01
> >-0.1727266E+01  0.5662581E+01
> >-0.1474457E+01  0.5145746E+01
> >-0.1242525E+01  0.4623927E+01
> >-0.1033751E+01  0.4090670E+01
> >-0.8551445E+00  0.3510859E+01
> >-0.7332302E+00  0.2577137E+01
> >-0.7078106E+00  0.1641237E+01
> >-0.7008073E+00  0.9541609E+00
> >-0.6971084E+00  0.3272670E+00
> >-0.6947563E+00 -0.2701332E+00
> >-0.6931083E+00 -0.8496657E+00
> >-0.6918812E+00 -0.1417104E+01
> >-0.6909280E+00 -0.1975766E+01
> >-0.6901641E+00 -0.2527749E+01
> >-0.6895369E+00 -0.3074466E+01
> >-0.6890121E+00 -0.3616919E+01
> >-0.6885659E+00 -0.4155843E+01
> >-0.6881816E+00 -0.4691796E+01
> >-0.6878470E+00 -0.5225213E+01
> >-0.6875528E+00 -0.5756437E+01
> >-0.6872920E+00 -0.6285746E+01
> >-0.6870592E+00 -0.6813367E+01
> >-0.6868500E+00 -0.7339488E+01
> >-0.6866609E+00 -0.7864269E+01
> >-0.6864892E+00 -0.8387842E+01
> >-0.6863324E+00 -0.8910324E+01
> >-0.6861888E+00 -0.9431813E+01
> >-0.6860567E+00 -0.9952395E+01
> >-0.6859348E+00 -0.1047215E+02
> >-0.6858219E+00 -0.1099113E+02
> >-0.6857171E+00 -0.1150941E+02
> >-0.6856194E+00 -0.1202703E+02
> >-0.6855283E+00 -0.1254404E+02
> >-0.6854429E+00 -0.1306049E+02
> >-0.6853629E+00 -0.1357641E+02
> >-0.6852877E+00 -0.1409183E+02
> >-0.6852169E+00 -0.1460678E+02
> >-0.6851501E+00 -0.1512130E+02
> >-0.6850870E+00 -0.1563540E+02
> >-0.6850273E+00 -0.1614912E+02
> >-0.6849706E+00 -0.1666247E+02
> >-0.6849169E+00 -0.1717547E+02
> >-0.6848658E+00 -0.1768814E+02
> >-0.6848172E+00 -0.1820050E+02
> >-0.6847708E+00 -0.1871256E+02
> >-0.6847266E+00 -0.1922434E+02
> >-0.6846844E+00 -0.1973585E+02
> >-0.6846441E+00 -0.2024710E+02
> >-0.6846037E+00 -0.2078156E+02
> >-0.6845633E+00 -0.2134085E+02
> >-0.6845230E+00 -0.2192674E+02
> >-0.6844826E+00 -0.2254117E+02
> >-0.6844423E+00 -0.2318629E+02
> >-0.6844019E+00 -0.2386444E+02
> >-0.6843615E+00 -0.2457824E+02
> >-0.6843212E+00 -0.2533058E+02
> >-0.6842808E+00 -0.2612465E+02
> >-0.6842404E+00 -0.2696404E+02
> >-0.6842001E+00 -0.2785274E+02
> >-0.6841597E+00 -0.2879522E+02
> >-0.6841194E+00 -0.2979652E+02
> >-0.6840790E+00 -0.3086232E+02
> >-0.6840386E+00 -0.3199906E+02
> >-0.6839983E+00 -0.3321408E+02
> >-0.6839579E+00 -0.3451574E+02
> >-0.6839175E+00 -0.3591366E+02
> >-0.6838772E+00 -0.3741893E+02
> >-0.6838368E+00 -0.3904440E+02
> >-0.6837965E+00 -0.4080507E+02
> >-0.6837561E+00 -0.4271855E+02
> >-0.6837157E+00 -0.4480564E+02
> >-0.6836754E+00 -0.4709108E+02
> >-0.6836350E+00 -0.4960456E+02
> >-0.6835946E+00 -0.5238201E+02
> >-0.6835543E+00 -0.5546732E+02
> >-0.6835139E+00 -0.5891468E+02
> >-0.6834736E+00 -0.6279178E+02
> >-0.6834332E+00 -0.6718435E+02
> >-0.6833928E+00 -0.7220249E+02
> >-0.6833525E+00 -0.7799009E+02
> >-0.6833121E+00 -0.8473883E+02
> >-0.6832717E+00 -0.9270982E+02
> >-0.6832314E+00 -0.1022682E+03
> >-0.6831910E+00 -0.1139405E+03
> >-0.6831507E+00 -0.1285153E+03
> >-0.6831103E+00 -0.1472289E+03
> >-0.6830699E+00 -0.1721359E+03
> >-0.6830296E+00 -0.2069210E+03
> >-0.6829892E+00 -0.2589137E+03
> >-0.6829488E+00 -0.3450790E+03
> >-0.6829085E+00 -0.5155984E+03
> >-0.6828681E+00 -0.1013114E+04
> >-0.6828278E+00 -0.2468156E+05
> >-0.6827874E+00  0.1110889E+04
> >-0.6827470E+00  0.5449330E+03
> >-0.6827067E+00  0.3617604E+03
> >-0.6826663E+00  0.2711679E+03
> >-0.6826259E+00  0.2171263E+03
> >-0.6825856E+00  0.1812284E+03
> >-0.6825452E+00  0.1556503E+03
> >-0.6825049E+00  0.1365012E+03
> >-0.6824645E+00  0.1216279E+03
> >-0.6824241E+00  0.1097420E+03
> >-0.6823838E+00  0.1000256E+03
> >-0.6823434E+00  0.9193444E+02
> >-0.6823030E+00  0.8509217E+02
> >-0.6822627E+00  0.7923035E+02
> >-0.6822223E+00  0.7415235E+02
> >-0.6821820E+00  0.6971078E+02
> >-0.6821416E+00  0.6579306E+02
> >-0.6821012E+00  0.6231168E+02
> >-0.6820609E+00  0.5919757E+02
> >-0.6820205E+00  0.5639553E+02
> >-0.6819801E+00  0.5386089E+02
> >-0.6819398E+00  0.5155710E+02
> >-0.6818994E+00  0.4945402E+02
> >-0.6818591E+00  0.4752649E+02
> >-0.6818187E+00  0.4575342E+02
> >-0.6817783E+00  0.4411696E+02
> >-0.6817380E+00  0.4260190E+02
> >-0.6816976E+00  0.4119522E+02
> >-0.6816572E+00  0.3988569E+02
> >-0.6816169E+00  0.3866358E+02
> >-0.6815765E+00  0.3752041E+02
> >-0.6815362E+00  0.3644878E+02
> >-0.6814958E+00  0.3544218E+02
> >-0.6814554E+00  0.3449485E+02
> >-0.6814151E+00  0.3360172E+02
> >-0.6813747E+00  0.3275826E+02
> >-0.6813343E+00  0.3196044E+02
> >-0.6812940E+00  0.3120465E+02
> >-0.6812536E+00  0.3048765E+02
> >-0.6812133E+00  0.2980654E+02
> >-0.6811729E+00  0.2915868E+02
> >-0.6811325E+00  0.2854170E+02
> >-0.6810922E+00  0.2795344E+02
> >-0.6810518E+00  0.2739194E+02
> >-0.6810114E+00  0.2685541E+02
> >-0.6809711E+00  0.2634223E+02
> >-0.6809307E+00  0.2585090E+02
> >-0.6808904E+00  0.2538005E+02
> >-0.6808500E+00  0.2492844E+02
> >-0.6808096E+00  0.2449490E+02
> >-0.6807693E+00  0.2407837E+02
> >-0.6807289E+00  0.2367787E+02
> >-0.6806885E+00  0.2329249E+02
> >-0.6806482E+00  0.2292139E+02
> >-0.6806078E+00  0.2256379E+02
> >-0.6805675E+00  0.2221897E+02
> >-0.6805271E+00  0.2188626E+02
> >-0.6804867E+00  0.2156502E+02
> >-0.6804464E+00  0.2125467E+02
> >-0.6804060E+00  0.2095468E+02
> >-0.6803656E+00  0.2066452E+02
> >-0.6803253E+00  0.2038372E+02
> >-0.6802849E+00  0.2011184E+02
> >-0.6802446E+00  0.1984846E+02
> >-0.6801667E+00  0.1936295E+02
> >-0.6800841E+00  0.1887788E+02
> >-0.6799962E+00  0.1839325E+02
> >-0.6799027E+00  0.1790910E+02
> >-0.6798028E+00  0.1742547E+02
> >-0.6796961E+00  0.1694237E+02
> >-0.6795816E+00  0.1645986E+02
> >-0.6794587E+00  0.1597797E+02
> >-0.6793262E+00  0.1549674E+02
> >-0.6791832E+00  0.1501622E+02
> >-0.6790282E+00  0.1453647E+02
> >-0.6788597E+00  0.1405755E+02
> >-0.6786760E+00  0.1357952E+02
> >-0.6784750E+00  0.1310246E+02
> >-0.6782539E+00  0.1262647E+02
> >-0.6780099E+00  0.1215163E+02
> >-0.6777392E+00  0.1167807E+02
> >-0.6774373E+00  0.1120590E+02
> >-0.6770985E+00  0.1073529E+02
> >-0.6767159E+00  0.1026640E+02
> >-0.6762806E+00  0.9799438E+01
> >-0.6757813E+00  0.9334649E+01
> >-0.6752032E+00  0.8872320E+01
> >-0.6745266E+00  0.8412796E+01
> >-0.6737252E+00  0.7956500E+01
> >-0.6727625E+00  0.7503947E+01
> >-0.6715869E+00  0.7055778E+01
> >-0.6701230E+00  0.6612797E+01
> >-0.6682574E+00  0.6176025E+01
> >-0.6658121E+00  0.5746764E+01
> >-0.6624945E+00  0.5326678E+01
> >-0.6577966E+00  0.4917859E+01
> >-0.6507780E+00  0.4522758E+01
> >-0.6395723E+00  0.4143604E+01
> >-0.6202348E+00  0.3780024E+01
> >-0.5843842E+00  0.3421741E+01
> >-0.5178117E+00  0.3036497E+01
> >-0.4137777E+00  0.2588059E+01
> >-0.2911970E+00  0.2090039E+01
> >-0.1704023E+00  0.1571391E+01
> >-0.5935302E-01  0.1044366E+01
> > 0.3991344E-01  0.5131373E+00
> > 0.1274148E+00 -0.2052176E-01
> > 0.2039391E+00 -0.5555940E+00
> > 0.2705731E+00 -0.1091362E+01
> > 0.3284888E+00 -0.1627272E+01
> > 0.3788319E+00 -0.2162895E+01
> > 0.4226621E+00 -0.2697906E+01
> > 0.4609254E+00 -0.3232074E+01
> > 0.4944456E+00 -0.3765243E+01
> > 0.5239288E+00 -0.4297319E+01
> > 0.5499732E+00 -0.4828253E+01
> > 0.5730828E+00 -0.5358034E+01
> > 0.5936802E+00 -0.5886675E+01
> > 0.6121195E+00 -0.6414203E+01
> > 0.6286978E+00 -0.6940659E+01
> > 0.6436644E+00 -0.7466089E+01
> > 0.6572294E+00 -0.7990542E+01
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> >&
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> > 0.9453736E+00 -0.7265522E+01
> > 0.9666846E+00 -0.7788544E+01
> > 0.9861816E+00 -0.8310847E+01
> > 0.1004068E+01 -0.8832453E+01
> > 0.1020522E+01 -0.9353385E+01
> > 0.1035697E+01 -0.9873669E+01
> > 0.1049727E+01 -0.1039333E+02
> > 0.1062731E+01 -0.1091239E+02
> > 0.1074810E+01 -0.1143088E+02
> > 0.1086055E+01 -0.1194883E+02
> > 0.1096546E+01 -0.1246625E+02
> > 0.1106353E+01 -0.1298318E+02
> > 0.1115538E+01 -0.1349963E+02
> > 0.1124156E+01 -0.1401563E+02
> > 0.1132256E+01 -0.1453119E+02
> > 0.1139883E+01 -0.1504634E+02
> > 0.1147074E+01 -0.1556110E+02
> > 0.1153866E+01 -0.1607548E+02
> > 0.1160290E+01 -0.1658950E+02
> > 0.1166374E+01 -0.1710317E+02
> > 0.1172144E+01 -0.1761652E+02
> > 0.1177623E+01 -0.1812955E+02
> > 0.1182832E+01 -0.1864228E+02
> > 0.1187790E+01 -0.1915472E+02
> > 0.1192514E+01 -0.1966688E+02
> > 0.1197021E+01 -0.2017877E+02
> > 0.1201527E+01 -0.2071516E+02
> > 0.1206034E+01 -0.2127788E+02
> > 0.1210541E+01 -0.2186899E+02
> > 0.1215047E+01 -0.2249074E+02
> > 0.1219554E+01 -0.2314563E+02
> > 0.1224061E+01 -0.2383644E+02
> > 0.1228567E+01 -0.2456627E+02
> > 0.1233074E+01 -0.2533860E+02
> > 0.1237580E+01 -0.2615733E+02
> > 0.1242087E+01 -0.2702683E+02
> > 0.1246594E+01 -0.2795207E+02
> > 0.1251100E+01 -0.2893868E+02
> > 0.1255607E+01 -0.2999307E+02
> > 0.1260114E+01 -0.3112257E+02
> > 0.1264620E+01 -0.3233562E+02
> > 0.1269127E+01 -0.3364197E+02
> > 0.1273633E+01 -0.3505295E+02
> > 0.1278140E+01 -0.3658179E+02
> > 0.1282647E+01 -0.3824407E+02
> > 0.1287153E+01 -0.4005823E+02
> > 0.1291660E+01 -0.4204628E+02
> > 0.1296167E+01 -0.4423469E+02
> > 0.1300673E+01 -0.4665559E+02
> > 0.1305180E+01 -0.4934838E+02
> > 0.1309686E+01 -0.5236190E+02
> > 0.1314193E+01 -0.5575741E+02
> > 0.1318700E+01 -0.5961287E+02
> > 0.1323206E+01 -0.6402897E+02
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> > 0.1332220E+01 -0.7511801E+02
> > 0.1336726E+01 -0.8221271E+02
> > 0.1341233E+01 -0.9076696E+02
> > 0.1345739E+01 -0.1012840E+03
> > 0.1350246E+01 -0.1145282E+03
> > 0.1354753E+01 -0.1317207E+03
> > 0.1359259E+01 -0.1549388E+03
> > 0.1363766E+01 -0.1880275E+03
> > 0.1368273E+01 -0.2389867E+03
> > 0.1372779E+01 -0.3276621E+03
> > 0.1377286E+01 -0.5205549E+03
> > 0.1381792E+01 -0.1263391E+04
> > 0.1386299E+01  0.2969884E+04
> > 0.1390806E+01  0.6831556E+03
> > 0.1395312E+01  0.3861236E+03
> > 0.1399819E+01  0.2691804E+03
> > 0.1404326E+01  0.2066405E+03
> > 0.1408832E+01  0.1677010E+03
> > 0.1413339E+01  0.1411211E+03
> > 0.1417845E+01  0.1218205E+03
> > 0.1422352E+01  0.1071677E+03
> > 0.1426859E+01  0.9566306E+02
> > 0.1431365E+01  0.8638956E+02
> > 0.1435872E+01  0.7875476E+02
> > 0.1440379E+01  0.7235893E+02
> > 0.1444885E+01  0.6692256E+02
> > 0.1449392E+01  0.6224433E+02
> > 0.1453898E+01  0.5817557E+02
> > 0.1458405E+01  0.5460409E+02
> > 0.1462912E+01  0.5144364E+02
> > 0.1467418E+01  0.4862683E+02
> > 0.1471925E+01  0.4610023E+02
> > 0.1476432E+01  0.4382094E+02
> > 0.1480938E+01  0.4175412E+02
> > 0.1485445E+01  0.3987119E+02
> > 0.1489951E+01  0.3814845E+02
> > 0.1494458E+01  0.3656613E+02
> > 0.1498965E+01  0.3510757E+02
> > 0.1503471E+01  0.3375864E+02
> > 0.1507978E+01  0.3250729E+02
> > 0.1512485E+01  0.3134318E+02
> > 0.1516991E+01  0.3025736E+02
> > 0.1521498E+01  0.2924208E+02
> > 0.1526004E+01  0.2829058E+02
> > 0.1530511E+01  0.2739692E+02
> > 0.1535018E+01  0.2655589E+02
> > 0.1539524E+01  0.2576288E+02
> > 0.1544031E+01  0.2501381E+02
> > 0.1548538E+01  0.2430504E+02
> > 0.1553044E+01  0.2363333E+02
> > 0.1557551E+01  0.2299577E+02
> > 0.1562057E+01  0.2238975E+02
> > 0.1566564E+01  0.2181291E+02
> > 0.1571071E+01  0.2126314E+02
> > 0.1575577E+01  0.2073851E+02
> > 0.1580084E+01  0.2023727E+02
> > 0.1584591E+01  0.1975785E+02
> > 0.1589393E+01  0.1926936E+02
> > 0.1594419E+01  0.1878110E+02
> > 0.1599684E+01  0.1829308E+02
> > 0.1605206E+01  0.1780529E+02
> > 0.1611001E+01  0.1731774E+02
> > 0.1617090E+01  0.1683045E+02
> > 0.1623493E+01  0.1634342E+02
> > 0.1630233E+01  0.1585665E+02
> > 0.1637337E+01  0.1537016E+02
> > 0.1644832E+01  0.1488394E+02
> > 0.1652747E+01  0.1439801E+02
> > 0.1661116E+01  0.1391236E+02
> > 0.1669976E+01  0.1342701E+02
> > 0.1679365E+01  0.1294195E+02
> > 0.1689328E+01  0.1245719E+02
> > 0.1699911E+01  0.1197272E+02
> > 0.1711166E+01  0.1148855E+02
> > 0.1723150E+01  0.1100466E+02
> > 0.1735925E+01  0.1052105E+02
> > 0.1749556E+01  0.1003770E+02
> > 0.1764118E+01  0.9554591E+01
> > 0.1779687E+01  0.9071700E+01
> > 0.1796347E+01  0.8588990E+01
> > 0.1814187E+01  0.8106417E+01
> > 0.1833299E+01  0.7623926E+01
> > 0.1853780E+01  0.7141449E+01
> > 0.1875727E+01  0.6658904E+01
> > 0.1899236E+01  0.6176192E+01
> > 0.1924400E+01  0.5693199E+01
> > 0.1951301E+01  0.5209789E+01
> > 0.1980008E+01  0.4725811E+01
> > 0.2010567E+01  0.4241098E+01
> >&
> >-0.2000000E+01  0.6160806E+01
> >-0.1970000E+01  0.6105886E+01
> >-0.1940000E+01  0.6050522E+01
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> >-0.1880000E+01  0.5938417E+01
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> >-0.1790000E+01  0.5766623E+01
> >-0.1760000E+01  0.5708330E+01
> >-0.1730000E+01  0.5649498E+01
> >-0.1700000E+01  0.5590109E+01
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> >-0.1640000E+01  0.5469584E+01
> >-0.1610000E+01  0.5408408E+01
> >-0.1580000E+01  0.5346591E+01
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> >-0.1520000E+01  0.5220940E+01
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> >-0.1250000E+01  0.4615211E+01
> >-0.1220000E+01  0.4542797E+01
> >-0.1190000E+01  0.4469063E+01
> >-0.1160000E+01  0.4393878E+01
> >-0.1130000E+01  0.4317078E+01
> >-0.1100000E+01  0.4238460E+01
> >-0.1070000E+01  0.4157761E+01
> >-0.1040000E+01  0.4074633E+01
> >-0.1010000E+01  0.3988604E+01
> >-0.9800000E+00  0.3899011E+01
> >-0.9770000E+00  0.3889822E+01
> >-0.9740000E+00  0.3880587E+01
> >-0.9710000E+00  0.3871305E+01
> >-0.9680000E+00  0.3861974E+01
> >-0.9650000E+00  0.3852593E+01
> >-0.9620000E+00  0.3843161E+01
> >-0.9590000E+00  0.3833676E+01
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> >-0.9530000E+00  0.3814542E+01
> >-0.9500000E+00  0.3804889E+01
> >-0.9470000E+00  0.3795177E+01
> >-0.9440000E+00  0.3785403E+01
> >-0.9410000E+00  0.3775567E+01
> >-0.9380000E+00  0.3765665E+01
> >-0.9350000E+00  0.3755696E+01
> >-0.9320000E+00  0.3745658E+01
> >-0.9290000E+00  0.3735548E+01
> >-0.9260000E+00  0.3725363E+01
> >-0.9230000E+00  0.3715102E+01
> >-0.9200000E+00  0.3704760E+01
> >-0.9170000E+00  0.3694336E+01
> >-0.9140000E+00  0.3683827E+01
> >-0.9110000E+00  0.3673228E+01
> >-0.9080000E+00  0.3662538E+01
> >-0.9050000E+00  0.3651751E+01
> >-0.9020000E+00  0.3640865E+01
> >-0.8990000E+00  0.3629874E+01
> >-0.8960000E+00  0.3618776E+01
> >-0.8930000E+00  0.3607565E+01
> >-0.8900000E+00  0.3596237E+01
> >-0.8870000E+00  0.3584785E+01
> >-0.8840000E+00  0.3573206E+01
> >-0.8810000E+00  0.3561493E+01
> >-0.8780000E+00  0.3549639E+01
> >-0.8750000E+00  0.3537638E+01
> >-0.8720000E+00  0.3525483E+01
> >-0.8690000E+00  0.3513167E+01
> >-0.8660000E+00  0.3500680E+01
> >-0.8630000E+00  0.3488015E+01
> >-0.8600000E+00  0.3475161E+01
> >-0.8570000E+00  0.3462109E+01
> >-0.8540000E+00  0.3448848E+01
> >-0.8510000E+00  0.3435365E+01
> >-0.8480000E+00  0.3421649E+01
> >-0.8450000E+00  0.3407684E+01
> >-0.8420000E+00  0.3393457E+01
> >-0.8390000E+00  0.3378950E+01
> >-0.8360000E+00  0.3364146E+01
> >-0.8330000E+00  0.3349026E+01
> >-0.8300000E+00  0.3333568E+01
> >-0.8270000E+00  0.3317750E+01
> >-0.8240000E+00  0.3301545E+01
> >-0.8210000E+00  0.3284927E+01
> >-0.8180000E+00  0.3267863E+01
> >-0.8150000E+00  0.3250321E+01
> >-0.8120000E+00  0.3232263E+01
> >-0.8090000E+00  0.3213646E+01
> >-0.8060000E+00  0.3194425E+01
> >-0.8030000E+00  0.3174547E+01
> >-0.8000000E+00  0.3153954E+01
> >-0.7970000E+00  0.3132581E+01
> >-0.7940000E+00  0.3110354E+01
> >-0.7910000E+00  0.3087189E+01
> >-0.7880000E+00  0.3062992E+01
> >-0.7850000E+00  0.3037654E+01
> >-0.7820000E+00  0.3011051E+01
> >-0.7790000E+00  0.2983040E+01
> >-0.7760000E+00  0.2953454E+01
> >-0.7730000E+00  0.2922100E+01
> >-0.7700000E+00  0.2888752E+01
> >-0.7670000E+00  0.2853142E+01
> >-0.7640000E+00  0.2814952E+01
> >-0.7610000E+00  0.2773802E+01
> >-0.7580000E+00  0.2729231E+01
> >-0.7550000E+00  0.2680680E+01
> >-0.7520000E+00  0.2627457E+01
> >-0.7490000E+00  0.2568701E+01
> >-0.7460000E+00  0.2503325E+01
> >-0.7430000E+00  0.2429936E+01
> >-0.7400000E+00  0.2346719E+01
> >-0.7370000E+00  0.2251268E+01
> >-0.7340000E+00  0.2140317E+01
> >-0.7310000E+00  0.2009324E+01
> >-0.7280000E+00  0.1851778E+01
> >-0.7250000E+00  0.1658005E+01
> >-0.7220000E+00  0.1412976E+01
> >-0.7190000E+00  0.1092011E+01
> >-0.7160000E+00  0.6515505E+00
> >-0.7130000E+00  0.6832113E-02
> >-0.7100000E+00 -0.1031912E+01
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> >-0.7040000E+00 -0.8139158E+01
> >-0.7010000E+00 -0.5816807E+02
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> >-0.6950000E+00  0.1122209E+02
> >-0.6920000E+00  0.8347708E+01
> >-0.6890000E+00  0.6993081E+01
> >-0.6860000E+00  0.6202615E+01
> >-0.6830000E+00  0.5683037E+01
> >-0.6800000E+00  0.5314322E+01
> >-0.6770000E+00  0.5038224E+01
> >-0.6740000E+00  0.4823061E+01
> >-0.6710000E+00  0.4650119E+01
> >-0.6680000E+00  0.4507634E+01
> >-0.6650000E+00  0.4387840E+01
> >-0.6620000E+00  0.4285404E+01
> >-0.6590000E+00  0.4196540E+01
> >-0.6560000E+00  0.4118488E+01
> >-0.6530000E+00  0.4049190E+01
> >-0.6500000E+00  0.3987075E+01
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> >-0.6440000E+00  0.3879797E+01
> >-0.6410000E+00  0.3832913E+01
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> >-0.6350000E+00  0.3749541E+01
> >-0.6320000E+00  0.3712135E+01
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> >-0.6200000E+00  0.3583546E+01
> >-0.6170000E+00  0.3555512E+01
> >-0.6140000E+00  0.3528775E+01
> >-0.6110000E+00  0.3503205E+01
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> >-0.5750000E+00  0.3256351E+01
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> >-0.5660000E+00  0.3205610E+01
> >-0.5630000E+00  0.3189318E+01
> >-0.5600000E+00  0.3173301E+01
> >-0.5570000E+00  0.3157541E+01
> >-0.5540000E+00  0.3142021E+01
> >-0.5510000E+00  0.3126725E+01
> >-0.5480000E+00  0.3111638E+01
> >-0.5450000E+00  0.3096748E+01
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> >-0.5180000E+00  0.2969811E+01
> >-0.5150000E+00  0.2956334E+01
> >-0.5120000E+00  0.2942957E+01
> >-0.5090000E+00  0.2929674E+01
> >-0.5060000E+00  0.2916480E+01
> >-0.5030000E+00  0.2903369E+01
> >-0.5000000E+00  0.2890337E+01
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> >-0.4940000E+00  0.2864492E+01
> >-0.4910000E+00  0.2851671E+01
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> >-0.4850000E+00  0.2826212E+01
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> >-0.4580000E+00  0.2714055E+01
> >-0.4550000E+00  0.2701783E+01
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> >-0.4490000E+00  0.2677327E+01
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> >-0.4430000E+00  0.2652974E+01
> >-0.4400000E+00  0.2640832E+01
> >-0.4370000E+00  0.2628710E+01
> >-0.4340000E+00  0.2616608E+01
> >-0.4310000E+00  0.2604524E+01
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> >-0.4250000E+00  0.2580402E+01
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> >-0.4070000E+00  0.2508320E+01
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> >-0.3650000E+00  0.2340689E+01
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> > 0.8320000E+00 -0.1321282E+02
> > 0.8350000E+00 -0.1342110E+02
> > 0.8380000E+00 -0.1363470E+02
> > 0.8410000E+00 -0.1385384E+02
> > 0.8440000E+00 -0.1407874E+02
> > 0.8470000E+00 -0.1430964E+02
> > 0.8500000E+00 -0.1454679E+02
> > 0.8530000E+00 -0.1479045E+02
> > 0.8560000E+00 -0.1504092E+02
> > 0.8590000E+00 -0.1529848E+02
> > 0.8620000E+00 -0.1556345E+02
> > 0.8650000E+00 -0.1583616E+02
> > 0.8680000E+00 -0.1611698E+02
> > 0.8710000E+00 -0.1640627E+02
> > 0.8740000E+00 -0.1670444E+02
> > 0.8770000E+00 -0.1701191E+02
> > 0.8800000E+00 -0.1732914E+02
> > 0.8830000E+00 -0.1765661E+02
> > 0.8860000E+00 -0.1799484E+02
> > 0.8890000E+00 -0.1834437E+02
> > 0.8920000E+00 -0.1870581E+02
> > 0.8950000E+00 -0.1907978E+02
> > 0.8980000E+00 -0.1946696E+02
> > 0.9010000E+00 -0.1986807E+02
> > 0.9040000E+00 -0.2028390E+02
> > 0.9070000E+00 -0.2071530E+02
> > 0.9100000E+00 -0.2116316E+02
> > 0.9130000E+00 -0.2162846E+02
> > 0.9160000E+00 -0.2211228E+02
> > 0.9190000E+00 -0.2261574E+02
> > 0.9220000E+00 -0.2314009E+02
> > 0.9250000E+00 -0.2368669E+02
> > 0.9280000E+00 -0.2425699E+02
> > 0.9310000E+00 -0.2485260E+02
> > 0.9340000E+00 -0.2547527E+02
> > 0.9370000E+00 -0.2612691E+02
> > 0.9400000E+00 -0.2680962E+02
> > 0.9430000E+00 -0.2752569E+02
> > 0.9460000E+00 -0.2827767E+02
> > 0.9490000E+00 -0.2906835E+02
> > 0.9520000E+00 -0.2990085E+02
> > 0.9550000E+00 -0.3077860E+02
> > 0.9580000E+00 -0.3170542E+02
> > 0.9610000E+00 -0.3268561E+02
> > 0.9640000E+00 -0.3372393E+02
> > 0.9670000E+00 -0.3482577E+02
> > 0.9700000E+00 -0.3599719E+02
> > 0.9730000E+00 -0.3724504E+02
> > 0.9760000E+00 -0.3857711E+02
> > 0.9790000E+00 -0.4000229E+02
> > 0.9820000E+00 -0.4153076E+02
> > 0.9850000E+00 -0.4317422E+02
> > 0.9880000E+00 -0.4494625E+02
> > 0.9910000E+00 -0.4686262E+02
> > 0.9940000E+00 -0.4894180E+02
> > 0.9970000E+00 -0.5120557E+02
> > 0.1000000E+01 -0.5367975E+02
> > 0.1003000E+01 -0.5639523E+02
> > 0.1033000E+01 -0.1120755E+03
> > 0.1063000E+01 -0.2698835E+04
> > 0.1093000E+01  0.1254657E+03
> > 0.1123000E+01  0.6194650E+02
> > 0.1153000E+01  0.4134278E+02
> > 0.1183000E+01  0.3110970E+02
> > 0.1213000E+01  0.2496903E+02
> > 0.1243000E+01  0.2085890E+02
> > 0.1273000E+01  0.1790305E+02
> > 0.1303000E+01  0.1566576E+02
> > 0.1333000E+01  0.1390589E+02
> > 0.1363000E+01  0.1247918E+02
> > 0.1393000E+01  0.1129401E+02
> > 0.1423000E+01  0.1028940E+02
> > 0.1453000E+01  0.9423175E+01
> > 0.1483000E+01  0.8665249E+01
> > 0.1513000E+01  0.7993556E+01
> > 0.1543000E+01  0.7391553E+01
> > 0.1573000E+01  0.6846582E+01
> > 0.1603000E+01  0.6348793E+01
> > 0.1633000E+01  0.5890399E+01
> > 0.1663000E+01  0.5465161E+01
> > 0.1693000E+01  0.5068015E+01
> > 0.1723000E+01  0.4694804E+01
> > 0.1753000E+01  0.4342084E+01
> > 0.1783000E+01  0.4006966E+01
> > 0.1813000E+01  0.3687012E+01
> > 0.1843000E+01  0.3380142E+01
> > 0.1873000E+01  0.3084569E+01
> > 0.1903000E+01  0.2798743E+01
> > 0.1933000E+01  0.2521311E+01
> > 0.1963000E+01  0.2251085E+01
> > 0.1993000E+01  0.1987008E+01
> >&
> >-0,698232 -19
> >&
> >