N E dE d eps ncg rms rms(c) DAV: 1 0.224467367112E+04 0.22447E+04 -0.19295E+05 3136 0.166E+03 DAV: 2 -0.380090808697E+03 -0.26248E+04 -0.25448E+04 4064 0.332E+02 DAV: 3 -0.557579673321E+03 -0.17749E+03 -0.17655E+03 3840 0.909E+01 DAV: 4 -0.559835109010E+03 -0.22554E+01 -0.22481E+01 4032 0.110E+01 DAV: 5 -0.559872843143E+03 -0.37734E-01 -0.37712E-01 3808 0.140E+00 0.917E+01 DAV: 6 -0.506024945451E+03 0.53848E+02 -0.18746E+02 3808 0.301E+01 0.403E+01 DAV: 7 -0.505903938538E+03 0.12101E+00 -0.11392E+01 3776 0.732E+00 0.189E+01 DAV: 8 -0.505704551849E+03 0.19939E+00 -0.81279E-01 3872 0.243E+00 0.284E+00 DAV: 9 -0.505718334446E+03 -0.13783E-01 -0.67702E-02 3776 0.655E-01 0.989E-01 DAV: 10 -0.505730385601E+03 -0.12051E-01 -0.13376E-02 3648 0.348E-01 0.282E-01 DAV: 11 -0.505732656677E+03 -0.22711E-02 -0.30338E-03 3744 0.189E-01 0.850E-02 DAV: 12 -0.505732968303E+03 -0.31163E-03 -0.50062E-04 3648 0.641E-02 0.511E-02 DAV: 13 -0.505733078678E+03 -0.11037E-03 -0.11183E-04 3744 0.316E-02 0.319E-02 DAV: 14 -0.505733096375E+03 -0.17697E-04 -0.42083E-05 3424 0.296E-02 0.665E-03 DAV: 15 -0.505733096620E+03 -0.24456E-06 -0.22324E-05 3648 0.164E-02 1 F= -.51155741E+03 E0= -.51155741E+03 d E =-.511557E+03 N E dE d eps ncg rms rms(c) DAV: 1 -0.505731361681E+03 0.17347E-02 -0.49732E-01 3584 0.171E+00 0.508E-01 DAV: 2 -0.505732046315E+03 -0.68463E-03 -0.13952E-02 3936 0.276E-01 0.352E-01 DAV: 3 -0.505731845420E+03 0.20089E-03 -0.49707E-04 3968 0.697E-02 0.172E-01 DAV: 4 -0.505731831316E+03 0.14104E-04 -0.23923E-04 3808 0.396E-02 0.389E-02 DAV: 5 -0.505731833278E+03 -0.19620E-05 -0.31404E-05 3584 0.153E-02 2 F= -.51155831E+03 E0= -.51155831E+03 d E =-.896040E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.505732818330E+03 -0.98701E-03 -0.56249E-02 3584 0.575E-01 0.176E-01 DAV: 2 -0.505732885673E+03 -0.67344E-04 -0.15291E-03 3936 0.925E-02 0.122E-01 DAV: 3 -0.505732861849E+03 0.23825E-04 -0.66552E-05 3968 0.253E-02 0.563E-02 DAV: 4 -0.505732859238E+03 0.26104E-05 -0.27239E-05 3200 0.130E-02 3 F= -.51155860E+03 E0= -.51155860E+03 d E =-.119290E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505731606506E+03 0.12553E-02 -0.10279E-01 3584 0.783E-01 0.147E-01 DAV: 2 -0.505731552914E+03 0.53592E-04 -0.23389E-03 4032 0.115E-01 0.890E-02 DAV: 3 -0.505731512010E+03 0.40904E-04 -0.84677E-05 3904 0.264E-02 0.455E-02 DAV: 4 -0.505731502603E+03 0.94067E-05 -0.40901E-05 3808 0.182E-02 4 F= -.51155984E+03 E0= -.51155984E+03 d E =-.123323E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505727540791E+03 0.39712E-02 -0.47555E-01 3328 0.168E+00 0.321E-01 DAV: 2 -0.505727335791E+03 0.20500E-03 -0.10898E-02 4032 0.248E-01 0.191E-01 DAV: 3 -0.505727155825E+03 0.17997E-03 -0.37223E-04 3904 0.556E-02 0.968E-02 DAV: 4 -0.505727112520E+03 0.43305E-04 -0.18661E-04 3808 0.391E-02 0.284E-02 DAV: 5 -0.505727115690E+03 -0.31702E-05 -0.32018E-05 3200 0.153E-02 5 F= -.51156102E+03 E0= -.51156102E+03 d E =-.242051E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505726128006E+03 0.98451E-03 -0.26750E-02 3520 0.396E-01 0.864E-02 DAV: 2 -0.505726069046E+03 0.58960E-04 -0.58219E-04 4000 0.580E-02 0.329E-02 DAV: 3 -0.505726060123E+03 0.89236E-05 -0.42533E-05 3712 0.155E-02 6 F= -.51156183E+03 E0= -.51156183E+03 d E =-.809853E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.505723228885E+03 0.28402E-02 -0.24069E-01 3392 0.119E+00 0.275E-01 DAV: 2 -0.505722653114E+03 0.57577E-03 -0.51496E-03 4000 0.172E-01 0.108E-01 DAV: 3 -0.505722557596E+03 0.95518E-04 -0.41853E-04 3808 0.486E-02 0.451E-02 DAV: 4 -0.505722543970E+03 0.13625E-04 -0.67661E-05 3904 0.237E-02 0.160E-02 DAV: 5 -0.505722545407E+03 -0.14361E-05 -0.93923E-06 2272 0.863E-03 7 F= -.51156392E+03 E0= -.51156392E+03 d E =-.289710E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505716632122E+03 0.59118E-02 -0.96419E-01 3136 0.238E+00 0.543E-01 DAV: 2 -0.505714397815E+03 0.22343E-02 -0.20902E-02 4000 0.346E-01 0.210E-01 DAV: 3 -0.505714027203E+03 0.37061E-03 -0.15911E-03 3808 0.953E-02 0.893E-02 DAV: 4 -0.505713970503E+03 0.56701E-04 -0.26294E-04 3904 0.468E-02 0.315E-02 DAV: 5 -0.505713973109E+03 -0.26066E-05 -0.39282E-05 3744 0.169E-02 8 F= -.51156658E+03 E0= -.51156658E+03 d E =-.555385E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505701288337E+03 0.12682E-01 -0.38580E+00 3136 0.476E+00 0.109E+00 DAV: 2 -0.505692253745E+03 0.90346E-02 -0.84525E-02 4032 0.695E-01 0.421E-01 DAV: 3 -0.505690775193E+03 0.14786E-02 -0.63099E-03 3808 0.190E-01 0.180E-01 DAV: 4 -0.505690541515E+03 0.23368E-03 -0.10626E-03 3936 0.944E-02 0.623E-02 DAV: 5 -0.505690546111E+03 -0.45960E-05 -0.15721E-04 3808 0.339E-02 0.273E-02 DAV: 6 -0.505690545450E+03 0.66065E-06 -0.13901E-05 2464 0.125E-02 9 F= -.51156571E+03 E0= -.51156571E+03 d E =-.468263E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505709601635E+03 -0.19056E-01 -0.14032E+00 3136 0.287E+00 0.654E-01 DAV: 2 -0.505706325210E+03 0.32764E-02 -0.29694E-02 4032 0.414E-01 0.255E-01 DAV: 3 -0.505705785468E+03 0.53974E-03 -0.24397E-03 3808 0.117E-01 0.108E-01 DAV: 4 -0.505705695439E+03 0.90029E-04 -0.37646E-04 3936 0.557E-02 0.396E-02 DAV: 5 -0.505705690855E+03 0.45841E-05 -0.58258E-05 3808 0.199E-02 10 F= -.51156723E+03 E0= -.51156723E+03 d E =-.620679E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505703069621E+03 0.26258E-02 -0.40209E-01 3136 0.153E+00 0.262E-01 DAV: 2 -0.505702907670E+03 0.16195E-03 -0.79317E-03 3936 0.212E-01 0.108E-01 DAV: 3 -0.505702751469E+03 0.15620E-03 -0.33965E-04 3872 0.521E-02 0.497E-02 DAV: 4 -0.505702724256E+03 0.27213E-04 -0.10080E-04 3872 0.302E-02 0.153E-02 DAV: 5 -0.505702724364E+03 -0.10748E-06 -0.13829E-05 2336 0.119E-02 11 F= -.51156903E+03 E0= -.51156903E+03 d E =-.180331E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505697927400E+03 0.47969E-02 -0.70290E-01 3136 0.202E+00 0.349E-01 DAV: 2 -0.505697661000E+03 0.26640E-03 -0.14015E-02 3968 0.281E-01 0.145E-01 DAV: 3 -0.505697392923E+03 0.26808E-03 -0.58811E-04 3872 0.690E-02 0.663E-02 DAV: 4 -0.505697346887E+03 0.46036E-04 -0.17964E-04 3936 0.405E-02 0.204E-02 DAV: 5 -0.505697347468E+03 -0.58061E-06 -0.25588E-05 3040 0.159E-02 12 F= -.51156996E+03 E0= -.51156996E+03 d E =-.273376E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505696299696E+03 0.10472E-02 -0.38287E-01 3136 0.149E+00 0.223E-01 DAV: 2 -0.505696527007E+03 -0.22731E-03 -0.69518E-03 3840 0.199E-01 0.121E-01 DAV: 3 -0.505696411863E+03 0.11514E-03 -0.17016E-04 3968 0.404E-02 0.593E-02 DAV: 4 -0.505696386870E+03 0.24992E-04 -0.11139E-04 3872 0.291E-02 0.150E-02 DAV: 5 -0.505696388169E+03 -0.12981E-05 -0.11720E-05 2304 0.105E-02 13 F= -.51157198E+03 E0= -.51157198E+03 d E =-.201900E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505689711021E+03 0.66758E-02 -0.34415E+00 3136 0.448E+00 0.662E-01 DAV: 2 -0.505691720763E+03 -0.20097E-02 -0.62779E-02 3840 0.597E-01 0.360E-01 DAV: 3 -0.505690681245E+03 0.10395E-02 -0.15206E-03 3936 0.120E-01 0.178E-01 DAV: 4 -0.505690432160E+03 0.24909E-03 -0.10114E-03 3872 0.878E-02 0.450E-02 DAV: 5 -0.505690437164E+03 -0.50044E-05 -0.12209E-04 3808 0.329E-02 0.295E-02 DAV: 6 -0.505690437129E+03 0.35805E-07 -0.25702E-05 3200 0.149E-02 14 F= -.51157500E+03 E0= -.51157500E+03 d E =-.503809E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505690896834E+03 -0.45967E-03 -0.48445E-01 3136 0.166E+00 0.226E-01 DAV: 2 -0.505691539479E+03 -0.64264E-03 -0.88641E-03 3808 0.224E-01 0.105E-01 DAV: 3 -0.505691421023E+03 0.11846E-03 -0.20591E-04 3904 0.434E-02 0.493E-02 DAV: 4 -0.505691399279E+03 0.21745E-04 -0.10458E-04 3904 0.289E-02 0.121E-02 DAV: 5 -0.505691400042E+03 -0.76392E-06 -0.12178E-05 2240 0.102E-02 15 F= -.51157695E+03 E0= -.51157695E+03 d E =-.194767E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505690329288E+03 0.10700E-02 -0.72806E-01 3136 0.204E+00 0.277E-01 DAV: 2 -0.505691288790E+03 -0.95950E-03 -0.13274E-02 3808 0.273E-01 0.129E-01 DAV: 3 -0.505691106219E+03 0.18257E-03 -0.29859E-04 3904 0.533E-02 0.606E-02 DAV: 4 -0.505691072377E+03 0.33842E-04 -0.16396E-04 3872 0.364E-02 0.146E-02 DAV: 5 -0.505691073299E+03 -0.92183E-06 -0.19867E-05 2816 0.128E-02 16 F= -.51157784E+03 E0= -.51157784E+03 d E =-.283305E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505693284439E+03 -0.22121E-02 -0.32642E-01 3136 0.136E+00 0.166E-01 DAV: 2 -0.505693641216E+03 -0.35678E-03 -0.57227E-03 3840 0.179E-01 0.876E-02 DAV: 3 -0.505693566357E+03 0.74859E-04 -0.11867E-04 3936 0.328E-02 0.439E-02 DAV: 4 -0.505693549310E+03 0.17047E-04 -0.80400E-05 3872 0.246E-02 0.109E-02 DAV: 5 -0.505693548903E+03 0.40736E-06 -0.85716E-06 2240 0.952E-03 17 F= -.51157937E+03 E0= -.51157937E+03 d E =-.153045E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505696677906E+03 -0.31286E-02 -0.29355E+00 3136 0.409E+00 0.497E-01 DAV: 2 -0.505699838193E+03 -0.31603E-02 -0.51133E-02 3840 0.535E-01 0.265E-01 DAV: 3 -0.505699149557E+03 0.68864E-03 -0.10986E-03 3936 0.984E-02 0.132E-01 DAV: 4 -0.505698993352E+03 0.15620E-03 -0.71462E-04 3872 0.732E-02 0.325E-02 DAV: 5 -0.505698993154E+03 0.19839E-06 -0.83892E-05 3808 0.286E-02 18 F= -.51158199E+03 E0= -.51158199E+03 d E =-.415395E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505699927712E+03 -0.93436E-03 -0.46368E-01 3136 0.163E+00 0.199E-01 DAV: 2 -0.505700454558E+03 -0.52685E-03 -0.82064E-03 3840 0.214E-01 0.105E-01 DAV: 3 -0.505700349947E+03 0.10461E-03 -0.16316E-04 3936 0.387E-02 0.524E-02 DAV: 4 -0.505700326721E+03 0.23226E-04 -0.11487E-04 3872 0.291E-02 0.130E-02 DAV: 5 -0.505700326116E+03 0.60445E-06 -0.12444E-05 2240 0.118E-02 19 F= -.51158221E+03 E0= -.51158221E+03 d E =-.437161E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505703730031E+03 -0.34033E-02 -0.89739E-01 3136 0.225E+00 0.311E-01 DAV: 2 -0.505704752287E+03 -0.10223E-02 -0.17131E-02 3808 0.306E-01 0.150E-01 DAV: 3 -0.505704509441E+03 0.24285E-03 -0.44070E-04 4000 0.637E-02 0.771E-02 DAV: 4 -0.505704459893E+03 0.49548E-04 -0.22633E-04 3840 0.431E-02 0.191E-02 DAV: 5 -0.505704460448E+03 -0.55476E-06 -0.33556E-05 3584 0.165E-02 20 F= -.51158396E+03 E0= -.51158396E+03 d E =-.175402E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505705226893E+03 -0.76700E-03 -0.86660E-02 3136 0.698E-01 0.982E-02 DAV: 2 -0.505705329826E+03 -0.10293E-03 -0.16751E-03 3808 0.954E-02 0.465E-02 DAV: 3 -0.505705306962E+03 0.22865E-04 -0.40064E-05 3968 0.197E-02 0.239E-02 DAV: 4 -0.505705301812E+03 0.51498E-05 -0.21037E-05 3264 0.143E-02 21 F= -.51158406E+03 E0= -.51158406E+03 d E =-.185730E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505707048706E+03 -0.17417E-02 -0.17606E-01 3136 0.100E+00 0.138E-01 DAV: 2 -0.505707287132E+03 -0.23843E-03 -0.35071E-03 3872 0.139E-01 0.803E-02 DAV: 3 -0.505707258241E+03 0.28891E-04 -0.62952E-05 3808 0.218E-02 0.459E-02 DAV: 4 -0.505707248786E+03 0.94555E-05 -0.43316E-05 3584 0.196E-02 22 F= -.51158500E+03 E0= -.51158500E+03 d E =-.935826E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.505708084846E+03 -0.82660E-03 -0.66180E-02 3136 0.616E-01 0.858E-02 DAV: 2 -0.505708175459E+03 -0.90613E-04 -0.13306E-03 3872 0.853E-02 0.498E-02 DAV: 3 -0.505708165053E+03 0.10406E-04 -0.22520E-05 2976 0.134E-02 0.282E-02 DAV: 4 -0.505708161449E+03 0.36045E-05 -0.17138E-05 2560 0.124E-02 23 F= -.51158529E+03 E0= -.51158529E+03 d E =-.123016E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505709050198E+03 -0.88514E-03 -0.26370E-01 3136 0.123E+00 0.169E-01 DAV: 2 -0.505709409523E+03 -0.35933E-03 -0.52660E-03 3872 0.170E-01 0.984E-02 DAV: 3 -0.505709366870E+03 0.42653E-04 -0.94973E-05 3808 0.266E-02 0.557E-02 DAV: 4 -0.505709353225E+03 0.13645E-04 -0.63697E-05 3808 0.236E-02 0.968E-03 DAV: 5 -0.505709353455E+03 -0.22923E-06 -0.10946E-05 2240 0.977E-03 24 F= -.51158525E+03 E0= -.51158525E+03 d E =-.118674E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505708675694E+03 0.67753E-03 -0.86939E-02 3136 0.706E-01 0.972E-02 DAV: 2 -0.505708789131E+03 -0.11344E-03 -0.17175E-03 3840 0.972E-02 0.567E-02 DAV: 3 -0.505708774461E+03 0.14670E-04 -0.32799E-05 3712 0.157E-02 0.315E-02 DAV: 4 -0.505708770669E+03 0.37916E-05 -0.20439E-05 2784 0.137E-02 25 F= -.51158538E+03 E0= -.51158538E+03 d E =-.131413E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505710053748E+03 -0.12793E-02 -0.19028E-01 3136 0.104E+00 0.119E-01 DAV: 2 -0.505710372669E+03 -0.31892E-03 -0.37799E-03 3808 0.144E-01 0.625E-02 DAV: 3 -0.505710337714E+03 0.34955E-04 -0.65063E-05 3840 0.244E-02 0.314E-02 DAV: 4 -0.505710329839E+03 0.78750E-05 -0.38658E-05 3808 0.168E-02 26 F= -.51158623E+03 E0= -.51158623E+03 d E =-.856431E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.505710854749E+03 -0.51703E-03 -0.75634E-02 3136 0.657E-01 0.769E-02 DAV: 2 -0.505710983668E+03 -0.12892E-03 -0.15047E-03 3808 0.906E-02 0.396E-02 DAV: 3 -0.505710971198E+03 0.12470E-04 -0.25852E-05 3616 0.156E-02 0.199E-02 DAV: 4 -0.505710968568E+03 0.26303E-05 -0.14489E-05 2496 0.106E-02 27 F= -.51158643E+03 E0= -.51158643E+03 d E =-.105372E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505710360417E+03 0.61078E-03 -0.67357E-02 3136 0.625E-01 0.128E-01 DAV: 2 -0.505710434540E+03 -0.74123E-04 -0.14186E-03 4032 0.889E-02 0.729E-02 DAV: 3 -0.505710420814E+03 0.13726E-04 -0.70630E-05 3808 0.219E-02 0.345E-02 DAV: 4 -0.505710418635E+03 0.21789E-05 -0.12620E-05 2240 0.109E-02 28 F= -.51158692E+03 E0= -.51158692E+03 d E =-.486647E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.505709384069E+03 0.10367E-02 -0.83968E-02 3136 0.697E-01 0.142E-01 DAV: 2 -0.505709474741E+03 -0.90672E-04 -0.17678E-03 4032 0.993E-02 0.809E-02 DAV: 3 -0.505709458107E+03 0.16635E-04 -0.89361E-05 3808 0.245E-02 0.385E-02 DAV: 4 -0.505709455411E+03 0.26959E-05 -0.15610E-05 2240 0.123E-02 29 F= -.51158711E+03 E0= -.51158711E+03 d E =-.681997E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.505708627570E+03 0.83054E-03 -0.38742E-02 3136 0.465E-01 0.659E-02 DAV: 2 -0.505708652470E+03 -0.24900E-04 -0.78535E-04 3904 0.652E-02 0.306E-02 DAV: 3 -0.505708644705E+03 0.77650E-05 -0.31700E-05 3360 0.138E-02 30 F= -.51158747E+03 E0= -.51158747E+03 d E =-.354021E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.505705749330E+03 0.29031E-02 -0.34840E-01 3136 0.139E+00 0.200E-01 DAV: 2 -0.505705960744E+03 -0.21141E-03 -0.70222E-03 3904 0.195E-01 0.954E-02 DAV: 3 -0.505705888753E+03 0.71991E-04 -0.29735E-04 3808 0.422E-02 0.476E-02 DAV: 4 -0.505705881166E+03 0.75870E-05 -0.50783E-05 3840 0.195E-02 31 F= -.51158820E+03 E0= -.51158820E+03 d E =-.108750E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505698311478E+03 0.75773E-02 -0.13937E+00 3136 0.279E+00 0.394E-01 DAV: 2 -0.505699208804E+03 -0.89733E-03 -0.28311E-02 3904 0.391E-01 0.184E-01 DAV: 3 -0.505698938353E+03 0.27045E-03 -0.11216E-03 3808 0.822E-02 0.928E-02 DAV: 4 -0.505698907845E+03 0.30508E-04 -0.19259E-04 3904 0.381E-02 0.378E-02 DAV: 5 -0.505698911336E+03 -0.34908E-05 -0.36388E-05 3808 0.169E-02 32 F= -.51158824E+03 E0= -.51158824E+03 d E =-.112411E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505702703716E+03 -0.37959E-02 -0.39155E-01 3136 0.148E+00 0.207E-01 DAV: 2 -0.505702943150E+03 -0.23943E-03 -0.79179E-03 3872 0.207E-01 0.992E-02 DAV: 3 -0.505702863854E+03 0.79296E-04 -0.33049E-04 3808 0.444E-02 0.503E-02 DAV: 4 -0.505702854593E+03 0.92605E-05 -0.55064E-05 3872 0.202E-02 33 F= -.51158846E+03 E0= -.51158846E+03 d E =-.134682E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505702422215E+03 0.44164E-03 -0.44956E-02 3136 0.501E-01 0.606E-02 DAV: 2 -0.505702465183E+03 -0.42968E-04 -0.93349E-04 3904 0.710E-02 0.368E-02 DAV: 3 -0.505702454829E+03 0.10354E-04 -0.20340E-05 2784 0.127E-02 0.192E-02 DAV: 4 -0.505702452175E+03 0.26539E-05 -0.11799E-05 2432 0.979E-03 34 F= -.51158885E+03 E0= -.51158885E+03 d E =-.388659E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.505700642470E+03 0.18124E-02 -0.40115E-01 3136 0.149E+00 0.187E-01 DAV: 2 -0.505701048480E+03 -0.40601E-03 -0.81396E-03 3872 0.209E-01 0.113E-01 DAV: 3 -0.505700975730E+03 0.72750E-04 -0.17791E-04 3904 0.363E-02 0.585E-02 DAV: 4 -0.505700958562E+03 0.17168E-04 -0.81181E-05 3872 0.255E-02 0.175E-02 DAV: 5 -0.505700960611E+03 -0.20491E-05 -0.15104E-05 2496 0.111E-02 35 F= -.51158973E+03 E0= -.51158973E+03 d E =-.127219E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505695377905E+03 0.55807E-02 -0.16054E+00 3136 0.299E+00 0.373E-01 DAV: 2 -0.505697017299E+03 -0.16394E-02 -0.32755E-02 3872 0.419E-01 0.225E-01 DAV: 3 -0.505696730318E+03 0.28698E-03 -0.69944E-04 3904 0.723E-02 0.117E-01 DAV: 4 -0.505696659345E+03 0.70972E-04 -0.32570E-04 3872 0.512E-02 0.348E-02 DAV: 5 -0.505696666083E+03 -0.67376E-05 -0.65180E-05 3872 0.223E-02 36 F= -.51159020E+03 E0= -.51159020E+03 d E =-.173620E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505697934732E+03 -0.12754E-02 -0.11930E-01 3136 0.814E-01 0.974E-02 DAV: 2 -0.505698041127E+03 -0.10639E-03 -0.23711E-03 3872 0.114E-01 0.603E-02 DAV: 3 -0.505698017466E+03 0.23660E-04 -0.58091E-05 3904 0.206E-02 0.314E-02 DAV: 4 -0.505698010516E+03 0.69503E-05 -0.24578E-05 3360 0.142E-02 37 F= -.51159024E+03 E0= -.51159024E+03 d E =-.178138E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505697606474E+03 0.41099E-03 -0.11186E-02 3200 0.250E-01 0.285E-02 DAV: 2 -0.505697616897E+03 -0.10422E-04 -0.23209E-04 3872 0.354E-02 0.173E-02 DAV: 3 -0.505697614201E+03 0.26961E-05 -0.47826E-06 2240 0.622E-03 38 F= -.51159024E+03 E0= -.51159024E+03 d E =-.178244E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505697131666E+03 0.48523E-03 -0.58765E-02 3136 0.571E-01 0.765E-02 DAV: 2 -0.505697201456E+03 -0.69790E-04 -0.11596E-03 3808 0.789E-02 0.323E-02 DAV: 3 -0.505697190620E+03 0.10836E-04 -0.26712E-05 3392 0.146E-02 0.164E-02 DAV: 4 -0.505697188903E+03 0.17168E-05 -0.10119E-05 2240 0.912E-03 39 F= -.51159052E+03 E0= -.51159052E+03 d E =-.273580E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.505695649395E+03 0.15412E-02 -0.29031E-01 3136 0.127E+00 0.169E-01 DAV: 2 -0.505696007804E+03 -0.35841E-03 -0.58273E-03 3808 0.177E-01 0.702E-02 DAV: 3 -0.505695956125E+03 0.51679E-04 -0.13388E-04 3936 0.325E-02 0.361E-02 DAV: 4 -0.505695946946E+03 0.91792E-05 -0.46626E-05 3840 0.192E-02 40 F= -.51159083E+03 E0= -.51159083E+03 d E =-.582857E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.505695404241E+03 0.55188E-03 -0.90388E-02 3136 0.712E-01 0.101E-01 DAV: 2 -0.505695540586E+03 -0.13635E-03 -0.17917E-03 3808 0.998E-02 0.570E-02 DAV: 3 -0.505695527764E+03 0.12822E-04 -0.43116E-05 3840 0.179E-02 0.314E-02 DAV: 4 -0.505695524497E+03 0.32667E-05 -0.19624E-05 2656 0.127E-02 41 F= -.51159121E+03 E0= -.51159121E+03 d E =-.379042E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.505694519468E+03 0.10083E-02 -0.13991E-01 3136 0.886E-01 0.125E-01 DAV: 2 -0.505694732533E+03 -0.21306E-03 -0.28060E-03 3808 0.125E-01 0.713E-02 DAV: 3 -0.505694712147E+03 0.20386E-04 -0.65777E-05 3840 0.221E-02 0.395E-02 DAV: 4 -0.505694705997E+03 0.61493E-05 -0.31148E-05 3456 0.162E-02 42 F= -.51159138E+03 E0= -.51159138E+03 d E =-.557492E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.505695113438E+03 -0.40129E-03 -0.12662E-01 3136 0.828E-01 0.893E-02 DAV: 2 -0.505695322480E+03 -0.20904E-03 -0.24470E-03 3808 0.114E-01 0.428E-02 DAV: 3 -0.505695310019E+03 0.12461E-04 -0.36066E-05 3648 0.172E-02 0.236E-02 DAV: 4 -0.505695306517E+03 0.35019E-05 -0.22789E-05 2944 0.129E-02 43 F= -.51159173E+03 E0= -.51159173E+03 d E =-.350052E-03