N E dE d eps ncg rms rms(c) DAV: 1 0.318281625257E+04 0.31828E+04 -0.16582E+05 1792 0.156E+03 DAV: 2 -0.723596128748E+02 -0.32552E+04 -0.31121E+04 2560 0.320E+02 DAV: 3 -0.546211864487E+03 -0.47385E+03 -0.47151E+03 2176 0.129E+02 DAV: 4 -0.556101968407E+03 -0.98901E+01 -0.98472E+01 2304 0.215E+01 DAV: 5 -0.556323296122E+03 -0.22133E+00 -0.22097E+00 2240 0.297E+00 0.913E+01 DAV: 6 -0.501719399506E+03 0.54604E+02 -0.20137E+02 2176 0.298E+01 0.426E+01 DAV: 7 -0.500544053098E+03 0.11753E+01 -0.11617E+01 2240 0.786E+00 0.175E+01 DAV: 8 -0.499702615625E+03 0.84144E+00 -0.11806E+00 2304 0.484E+00 0.265E+00 DAV: 9 -0.499523894001E+03 0.17872E+00 -0.47729E-01 2208 0.225E+00 0.846E-01 DAV: 10 -0.499388184205E+03 0.13571E+00 -0.89688E-02 2240 0.143E+00 0.471E-01 DAV: 11 -0.499357744796E+03 0.30439E-01 -0.56468E-02 2240 0.134E+00 0.108E+00 DAV: 12 -0.499337532112E+03 0.20213E-01 -0.44229E-02 2176 0.488E-01 0.870E-01 DAV: 13 -0.499332346927E+03 0.51852E-02 -0.10685E-02 2304 0.361E-01 0.361E-01 DAV: 14 -0.499358044858E+03 -0.25698E-01 -0.80857E-03 2304 0.487E-01 0.735E-01 DAV: 15 -0.499337751114E+03 0.20294E-01 -0.24825E-02 2208 0.421E-01 0.246E-01 DAV: 16 -0.499339695851E+03 -0.19447E-02 -0.69139E-03 2272 0.134E-01 0.280E-01 DAV: 17 -0.499339589853E+03 0.10600E-03 -0.89520E-04 2176 0.128E-01 0.122E-01 DAV: 18 -0.499342722682E+03 -0.31328E-02 -0.55802E-04 2176 0.115E-01 0.279E-01 DAV: 19 -0.499343793084E+03 -0.10704E-02 -0.79073E-04 2208 0.141E-01 0.261E-01 DAV: 20 -0.499343918959E+03 -0.12588E-03 -0.68787E-04 2080 0.108E-01 0.118E-01 DAV: 21 -0.499344049083E+03 -0.13012E-03 -0.35695E-04 2080 0.309E-02 0.443E-02 DAV: 22 -0.499344425748E+03 -0.37666E-03 -0.14684E-04 1920 0.212E-02 0.127E-02 DAV: 23 -0.499344593207E+03 -0.16746E-03 -0.18139E-05 1632 0.945E-03 0.134E-02 DAV: 24 -0.499344754832E+03 -0.16163E-03 -0.99274E-06 1440 0.579E-03 0.193E-02 DAV: 25 -0.499344848971E+03 -0.94138E-04 -0.63567E-06 1536 0.506E-03 0.134E-02 DAV: 26 -0.499344892720E+03 -0.43749E-04 -0.27484E-06 1504 0.511E-03 0.267E-03 DAV: 27 -0.499344929876E+03 -0.37156E-04 -0.26402E-06 1440 0.430E-03 0.157E-02 DAV: 28 -0.499344935318E+03 -0.54420E-05 -0.99184E-07 1536 0.385E-03 1 F= -.50455344E+03 E0= -.50454551E+03 d E =-.504553E+03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499344763047E+03 0.16683E-03 -0.85319E-01 1888 0.219E+00 0.501E-01 DAV: 2 -0.499346707351E+03 -0.19443E-02 -0.21267E-02 2176 0.335E-01 0.227E-01 DAV: 3 -0.499350036729E+03 -0.33294E-02 -0.30260E-03 2304 0.194E-01 0.448E-01 DAV: 4 -0.499346113380E+03 0.39233E-02 -0.15962E-03 2336 0.145E-01 0.669E-02 DAV: 5 -0.499346136749E+03 -0.23369E-04 -0.59329E-04 2304 0.537E-02 0.459E-02 DAV: 6 -0.499346143823E+03 -0.70739E-05 -0.48102E-04 2208 0.242E-02 0.511E-02 DAV: 7 -0.499346118394E+03 0.25430E-04 -0.23530E-04 1792 0.124E-02 0.147E-02 DAV: 8 -0.499346118472E+03 -0.78569E-07 -0.87977E-06 1600 0.617E-03 2 F= -.50455492E+03 E0= -.50454692E+03 d E =-.147920E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499346530051E+03 -0.41166E-03 -0.91924E-02 1856 0.720E-01 0.164E-01 DAV: 2 -0.499346710523E+03 -0.18047E-03 -0.22449E-03 2176 0.108E-01 0.593E-02 DAV: 3 -0.499346858662E+03 -0.14814E-03 -0.17827E-04 2048 0.432E-02 0.117E-01 DAV: 4 -0.499346683208E+03 0.17545E-03 -0.12020E-04 2048 0.357E-02 0.312E-02 DAV: 5 -0.499346674112E+03 0.90964E-05 -0.31878E-05 1824 0.146E-02 3 F= -.50455538E+03 E0= -.50454740E+03 d E =-.193783E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499348152258E+03 -0.14690E-02 -0.19893E-01 1856 0.106E+00 0.109E-01 DAV: 2 -0.499348428555E+03 -0.27630E-03 -0.40479E-03 2176 0.150E-01 0.748E-02 DAV: 3 -0.499348516986E+03 -0.88431E-04 -0.12705E-03 2048 0.460E-02 0.115E-01 DAV: 4 -0.499348388229E+03 0.12876E-03 -0.10386E-03 1952 0.329E-02 0.443E-02 DAV: 5 -0.499348377144E+03 0.11085E-04 -0.55842E-05 1984 0.207E-02 0.291E-02 DAV: 6 -0.499348380406E+03 -0.32620E-05 -0.21383E-04 1504 0.160E-02 0.323E-02 DAV: 7 -0.499348368175E+03 0.12232E-04 -0.52140E-05 1472 0.102E-02 0.443E-03 DAV: 8 -0.499348368471E+03 -0.29684E-06 -0.32492E-06 1504 0.428E-03 4 F= -.50455719E+03 E0= -.50454921E+03 d E =-.181646E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499348594800E+03 -0.22662E-03 -0.14164E-01 1856 0.892E-01 0.940E-02 DAV: 2 -0.499348788851E+03 -0.19405E-03 -0.27972E-03 2176 0.126E-01 0.578E-02 DAV: 3 -0.499348831620E+03 -0.42769E-04 -0.13264E-04 2080 0.348E-02 0.777E-02 DAV: 4 -0.499348771157E+03 0.60463E-04 -0.63084E-05 1760 0.269E-02 0.401E-02 DAV: 5 -0.499348753271E+03 0.17886E-04 -0.35438E-05 1856 0.165E-02 0.102E-02 DAV: 6 -0.499348753616E+03 -0.34490E-06 -0.10185E-05 1472 0.882E-03 5 F= -.50455768E+03 E0= -.50454969E+03 d E =-.230200E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499349785802E+03 -0.10325E-02 -0.23477E-01 1792 0.116E+00 0.211E-01 DAV: 2 -0.499350507798E+03 -0.72200E-03 -0.57833E-03 2176 0.174E-01 0.162E-01 DAV: 3 -0.499351102993E+03 -0.59519E-03 -0.24621E-03 2208 0.102E-01 0.236E-01 DAV: 4 -0.499350218393E+03 0.88460E-03 -0.35576E-04 2304 0.683E-02 0.564E-02 DAV: 5 -0.499350285358E+03 -0.66965E-04 -0.18584E-03 2336 0.345E-02 0.871E-02 DAV: 6 -0.499350199363E+03 0.85995E-04 -0.41959E-04 2240 0.213E-02 0.132E-02 DAV: 7 -0.499350198821E+03 0.54127E-06 -0.22167E-05 1920 0.838E-03 6 F= -.50455924E+03 E0= -.50455126E+03 d E =-.156544E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499350237361E+03 -0.37998E-04 -0.84047E-02 1920 0.697E-01 0.128E-01 DAV: 2 -0.499350495810E+03 -0.25845E-03 -0.20042E-03 2272 0.104E-01 0.946E-02 DAV: 3 -0.499350734688E+03 -0.23888E-03 -0.31591E-04 2240 0.613E-02 0.152E-01 DAV: 4 -0.499350385543E+03 0.34914E-03 -0.11882E-04 2048 0.422E-02 0.197E-02 DAV: 5 -0.499350390980E+03 -0.54368E-05 -0.86637E-05 2112 0.162E-02 7 F= -.50455951E+03 E0= -.50455156E+03 d E =-.182813E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499351434361E+03 -0.10488E-02 -0.13234E-01 1920 0.869E-01 0.132E-01 DAV: 2 -0.499351741743E+03 -0.30738E-03 -0.31691E-03 2144 0.126E-01 0.887E-02 DAV: 3 -0.499351992516E+03 -0.25077E-03 -0.15353E-03 2112 0.581E-02 0.170E-01 DAV: 4 -0.499351666524E+03 0.32599E-03 -0.95530E-04 2176 0.431E-02 0.350E-02 DAV: 5 -0.499351665943E+03 0.58160E-06 -0.13045E-04 2112 0.205E-02 0.171E-02 DAV: 6 -0.499351669653E+03 -0.37101E-05 -0.11847E-04 1600 0.110E-02 0.229E-02 DAV: 7 -0.499351663876E+03 0.57766E-05 -0.43391E-05 1408 0.708E-03 8 F= -.50456084E+03 E0= -.50455290E+03 d E =-.133004E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499351585806E+03 0.83846E-04 -0.66608E-01 1792 0.195E+00 0.293E-01 DAV: 2 -0.499353021268E+03 -0.14355E-02 -0.14598E-02 2144 0.278E-01 0.175E-01 DAV: 3 -0.499354240377E+03 -0.12191E-02 -0.11097E-03 2144 0.120E-01 0.341E-01 DAV: 4 -0.499352746785E+03 0.14936E-02 -0.68025E-04 2208 0.934E-02 0.749E-02 DAV: 5 -0.499352735680E+03 0.11105E-04 -0.31435E-04 2272 0.435E-02 0.253E-02 DAV: 6 -0.499352747620E+03 -0.11940E-04 -0.27927E-04 2272 0.206E-02 0.394E-02 DAV: 7 -0.499352733946E+03 0.13674E-04 -0.26121E-04 1760 0.120E-02 0.165E-02 DAV: 8 -0.499352732199E+03 0.17467E-05 -0.20140E-05 1440 0.593E-03 9 F= -.50456203E+03 E0= -.50455406E+03 d E =-.252098E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499353636318E+03 -0.90237E-03 -0.15543E-01 1856 0.936E-01 0.155E-01 DAV: 2 -0.499353953474E+03 -0.31716E-03 -0.34624E-03 2144 0.133E-01 0.660E-02 DAV: 3 -0.499354204068E+03 -0.25059E-03 -0.22627E-04 2144 0.523E-02 0.141E-01 DAV: 4 -0.499353913836E+03 0.29023E-03 -0.12096E-04 2112 0.411E-02 0.285E-02 DAV: 5 -0.499353913740E+03 0.96479E-07 -0.58207E-05 1952 0.169E-02 10 F= -.50456327E+03 E0= -.50455533E+03 d E =-.123830E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499353712017E+03 0.20182E-03 -0.70017E-01 1792 0.199E+00 0.332E-01 DAV: 2 -0.499355190501E+03 -0.14785E-02 -0.16595E-02 2176 0.285E-01 0.165E-01 DAV: 3 -0.499356448140E+03 -0.12576E-02 -0.13971E-02 2336 0.128E-01 0.276E-01 DAV: 4 -0.499355003879E+03 0.14443E-02 -0.16632E-03 2528 0.893E-02 0.936E-02 DAV: 5 -0.499355109771E+03 -0.10589E-03 -0.29250E-03 2144 0.499E-02 0.113E-01 DAV: 6 -0.499354962950E+03 0.14682E-03 -0.25373E-04 2048 0.339E-02 0.448E-02 DAV: 7 -0.499354957550E+03 0.54000E-05 -0.57036E-04 2048 0.215E-02 0.326E-02 DAV: 8 -0.499354945707E+03 0.11843E-04 -0.14274E-04 1728 0.110E-02 0.975E-03 DAV: 9 -0.499354946568E+03 -0.86121E-06 -0.27449E-05 1408 0.501E-03 11 F= -.50456442E+03 E0= -.50455656E+03 d E =-.238647E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499355769862E+03 -0.82416E-03 -0.14995E-01 1792 0.928E-01 0.143E-01 DAV: 2 -0.499356061757E+03 -0.29189E-03 -0.34097E-03 2176 0.135E-01 0.759E-02 DAV: 3 -0.499356106702E+03 -0.44945E-04 -0.12579E-04 2048 0.345E-02 0.808E-02 DAV: 4 -0.499356079345E+03 0.27357E-04 -0.10657E-04 1664 0.338E-02 0.656E-02 DAV: 5 -0.499356031158E+03 0.48186E-04 -0.42556E-05 1824 0.221E-02 0.117E-02 DAV: 6 -0.499356036922E+03 -0.57639E-05 -0.95415E-05 1664 0.108E-02 12 F= -.50456553E+03 E0= -.50455762E+03 d E =-.111485E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499356071953E+03 -0.40794E-04 -0.24505E-01 1792 0.119E+00 0.185E-01 DAV: 2 -0.499356552702E+03 -0.48075E-03 -0.56030E-03 2240 0.172E-01 0.975E-02 DAV: 3 -0.499356616542E+03 -0.63839E-04 -0.20619E-04 2048 0.432E-02 0.992E-02 DAV: 4 -0.499356597518E+03 0.19024E-04 -0.18864E-04 2048 0.435E-02 0.895E-02 DAV: 5 -0.499356505504E+03 0.92014E-04 -0.71809E-05 1856 0.291E-02 0.150E-02 DAV: 6 -0.499356515271E+03 -0.97668E-05 -0.15550E-04 1920 0.139E-02 0.296E-02 DAV: 7 -0.499356505953E+03 0.93185E-05 -0.86230E-05 1568 0.782E-03 13 F= -.50456603E+03 E0= -.50455814E+03 d E =-.161544E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499357237640E+03 -0.72237E-03 -0.22042E-01 1792 0.112E+00 0.145E-01 DAV: 2 -0.499357712679E+03 -0.47504E-03 -0.48554E-03 2240 0.158E-01 0.901E-02 DAV: 3 -0.499357957638E+03 -0.24496E-03 -0.24783E-04 2080 0.567E-02 0.149E-01 DAV: 4 -0.499357648146E+03 0.30949E-03 -0.13146E-04 2048 0.436E-02 0.398E-02 DAV: 5 -0.499357645132E+03 0.30140E-05 -0.71072E-05 1984 0.216E-02 14 F= -.50456712E+03 E0= -.50455927E+03 d E =-.108990E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499357671233E+03 -0.23087E-04 -0.27008E-01 1792 0.124E+00 0.162E-01 DAV: 2 -0.499358241792E+03 -0.57056E-03 -0.59967E-03 2240 0.174E-01 0.971E-02 DAV: 3 -0.499358500951E+03 -0.25916E-03 -0.10511E-03 2080 0.593E-02 0.153E-01 DAV: 4 -0.499358182498E+03 0.31845E-03 -0.33343E-04 2176 0.465E-02 0.486E-02 DAV: 5 -0.499358284604E+03 -0.10211E-03 -0.90331E-04 2048 0.345E-02 0.959E-02 DAV: 6 -0.499358173334E+03 0.11127E-03 -0.64243E-04 1824 0.234E-02 0.896E-03 DAV: 7 -0.499358174335E+03 -0.10008E-05 -0.12109E-05 1984 0.728E-03 15 F= -.50456760E+03 E0= -.50455972E+03 d E =-.156494E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499359022088E+03 -0.84875E-03 -0.34774E-01 1792 0.140E+00 0.157E-01 DAV: 2 -0.499359756801E+03 -0.73471E-03 -0.71939E-03 2112 0.192E-01 0.112E-01 DAV: 3 -0.499360074444E+03 -0.31764E-03 -0.40823E-04 2144 0.710E-02 0.173E-01 DAV: 4 -0.499359619085E+03 0.45536E-03 -0.17742E-04 2112 0.524E-02 0.395E-02 DAV: 5 -0.499359614556E+03 0.45293E-05 -0.11512E-04 2080 0.276E-02 0.117E-02 DAV: 6 -0.499359618576E+03 -0.40199E-05 -0.74183E-05 1632 0.120E-02 16 F= -.50456899E+03 E0= -.50456113E+03 d E =-.139202E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499359373421E+03 0.24114E-03 -0.54198E-01 1792 0.175E+00 0.199E-01 DAV: 2 -0.499360504834E+03 -0.11314E-02 -0.11257E-02 2176 0.240E-01 0.137E-01 DAV: 3 -0.499361019048E+03 -0.51421E-03 -0.98749E-04 2176 0.884E-02 0.214E-01 DAV: 4 -0.499360308029E+03 0.71102E-03 -0.30722E-04 2176 0.656E-02 0.521E-02 DAV: 5 -0.499360439214E+03 -0.13119E-03 -0.14995E-03 2304 0.437E-02 0.111E-01 DAV: 6 -0.499360295945E+03 0.14327E-03 -0.86282E-04 2272 0.277E-02 0.115E-02 DAV: 7 -0.499360295587E+03 0.35869E-06 -0.18797E-05 2144 0.982E-03 17 F= -.50456960E+03 E0= -.50456176E+03 d E =-.200459E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499360266933E+03 0.29013E-04 -0.42346E-01 1792 0.154E+00 0.222E-01 DAV: 2 -0.499361389291E+03 -0.11224E-02 -0.94055E-03 2144 0.223E-01 0.177E-01 DAV: 3 -0.499361906044E+03 -0.51675E-03 -0.85717E-04 2240 0.101E-01 0.260E-01 DAV: 4 -0.499361043462E+03 0.86258E-03 -0.39161E-04 2240 0.742E-02 0.559E-02 DAV: 5 -0.499361037711E+03 0.57510E-05 -0.19110E-04 2112 0.331E-02 0.186E-02 DAV: 6 -0.499361036102E+03 0.16089E-05 -0.40051E-05 1760 0.131E-02 18 F= -.50457050E+03 E0= -.50456270E+03 d E =-.898111E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499361011252E+03 0.26460E-04 -0.10517E-02 1984 0.242E-01 0.410E-02 DAV: 2 -0.499361087448E+03 -0.76197E-04 -0.97890E-04 2240 0.428E-02 0.718E-02 DAV: 3 -0.499361034370E+03 0.53078E-04 -0.79089E-04 2048 0.199E-02 0.267E-02 DAV: 4 -0.499361028634E+03 0.57363E-05 -0.58823E-05 1440 0.818E-03 19 F= -.50457052E+03 E0= -.50456272E+03 d E =-.915326E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499361275373E+03 -0.24100E-03 -0.17659E-01 1792 0.982E-01 0.136E-01 DAV: 2 -0.499361736872E+03 -0.46150E-03 -0.39499E-03 2112 0.142E-01 0.114E-01 DAV: 3 -0.499361915253E+03 -0.17838E-03 -0.40887E-04 2144 0.679E-02 0.152E-01 DAV: 4 -0.499361579477E+03 0.33578E-03 -0.12394E-04 2176 0.410E-02 0.298E-02 DAV: 5 -0.499361601614E+03 -0.22137E-04 -0.27010E-04 2240 0.212E-02 0.433E-02 DAV: 6 -0.499361582364E+03 0.19250E-04 -0.24597E-04 1792 0.123E-02 0.118E-02 DAV: 7 -0.499361581654E+03 0.70963E-06 -0.10408E-05 1376 0.562E-03 20 F= -.50457132E+03 E0= -.50456356E+03 d E =-.808150E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499360812091E+03 0.77027E-03 -0.48172E-01 1792 0.162E+00 0.220E-01 DAV: 2 -0.499361848810E+03 -0.10367E-02 -0.10643E-02 2144 0.228E-01 0.134E-01 DAV: 3 -0.499362552496E+03 -0.70369E-03 -0.74640E-04 2336 0.979E-02 0.240E-01 DAV: 4 -0.499361664629E+03 0.88787E-03 -0.34483E-04 2240 0.683E-02 0.468E-02 DAV: 5 -0.499361668502E+03 -0.38726E-05 -0.15237E-04 2176 0.282E-02 0.156E-02 DAV: 6 -0.499361669187E+03 -0.68467E-06 -0.15296E-05 1920 0.107E-02 21 F= -.50457183E+03 E0= -.50456410E+03 d E =-.131600E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499361845266E+03 -0.17676E-03 -0.73219E-02 1792 0.635E-01 0.791E-02 DAV: 2 -0.499361985549E+03 -0.14028E-03 -0.15587E-03 2080 0.869E-02 0.350E-02 DAV: 3 -0.499361992236E+03 -0.66874E-05 -0.55390E-05 2112 0.189E-02 22 F= -.50457238E+03 E0= -.50456494E+03 d E =-.552198E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499361234869E+03 0.75068E-03 -0.65816E-01 1792 0.190E+00 0.244E-01 DAV: 2 -0.499362605599E+03 -0.13707E-02 -0.13721E-02 2048 0.261E-01 0.156E-01 DAV: 3 -0.499363467077E+03 -0.86148E-03 -0.13849E-03 2240 0.106E-01 0.296E-01 DAV: 4 -0.499362350234E+03 0.11168E-02 -0.10694E-03 2400 0.829E-02 0.642E-02 DAV: 5 -0.499362395585E+03 -0.45351E-04 -0.94495E-04 2304 0.448E-02 0.705E-02 DAV: 6 -0.499362346225E+03 0.49360E-04 -0.68057E-04 2240 0.232E-02 0.237E-02 DAV: 7 -0.499362339867E+03 0.63580E-05 -0.44480E-05 1696 0.122E-02 23 F= -.50457342E+03 E0= -.50456575E+03 d E =-.158665E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499355943411E+03 0.64028E-02 -0.26350E+00 1792 0.381E+00 0.465E-01 DAV: 2 -0.499360876529E+03 -0.49331E-02 -0.55283E-02 2176 0.519E-01 0.208E-01 DAV: 3 -0.499360599475E+03 0.27705E-03 -0.11049E-03 2240 0.914E-02 0.120E-01 DAV: 4 -0.499361214347E+03 -0.61487E-03 -0.17583E-03 2176 0.947E-02 0.209E-01 DAV: 5 -0.499360555115E+03 0.65923E-03 -0.56264E-04 2048 0.688E-02 0.477E-02 DAV: 6 -0.499360595718E+03 -0.40602E-04 -0.96758E-04 2176 0.322E-02 0.699E-02 DAV: 7 -0.499360543324E+03 0.52393E-04 -0.50742E-04 2208 0.221E-02 0.170E-02 DAV: 8 -0.499360543290E+03 0.34037E-07 -0.20406E-05 1696 0.736E-03 24 F= -.50457299E+03 E0= -.50456529E+03 d E =-.115998E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499360279681E+03 0.26364E-03 -0.10305E+00 1792 0.238E+00 0.294E-01 DAV: 2 -0.499362198655E+03 -0.19190E-02 -0.21669E-02 2144 0.324E-01 0.131E-01 DAV: 3 -0.499362110969E+03 0.87686E-04 -0.47510E-04 2176 0.596E-02 0.852E-02 DAV: 4 -0.499362514143E+03 -0.40317E-03 -0.64173E-04 2240 0.649E-02 0.190E-01 DAV: 5 -0.499362060405E+03 0.45374E-03 -0.52631E-04 2112 0.539E-02 0.247E-02 DAV: 6 -0.499362066972E+03 -0.65670E-05 -0.15405E-04 2272 0.214E-02 0.228E-02 DAV: 7 -0.499362066481E+03 0.49034E-06 -0.15507E-04 1664 0.103E-02 0.195E-02 DAV: 8 -0.499362062808E+03 0.36728E-05 -0.36940E-05 1536 0.551E-03 25 F= -.50457365E+03 E0= -.50456598E+03 d E =-.182280E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499362068973E+03 -0.24921E-05 -0.24366E-01 1792 0.115E+00 0.121E-01 DAV: 2 -0.499362668143E+03 -0.59917E-03 -0.52472E-03 2080 0.163E-01 0.127E-01 DAV: 3 -0.499362687946E+03 -0.19803E-04 -0.30746E-04 2080 0.601E-02 0.119E-01 DAV: 4 -0.499362491454E+03 0.19649E-03 -0.90403E-05 1984 0.354E-02 0.407E-02 DAV: 5 -0.499362488263E+03 0.31909E-05 -0.97820E-05 1984 0.235E-02 26 F= -.50457457E+03 E0= -.50456685E+03 d E =-.915043E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499361016765E+03 0.14747E-02 -0.86178E-01 1792 0.217E+00 0.230E-01 DAV: 2 -0.499363186271E+03 -0.21695E-02 -0.19473E-02 2144 0.308E-01 0.252E-01 DAV: 3 -0.499363222474E+03 -0.36203E-04 -0.51733E-03 2080 0.115E-01 0.215E-01 DAV: 4 -0.499362558955E+03 0.66352E-03 -0.40812E-04 1952 0.651E-02 0.880E-02 DAV: 5 -0.499362817831E+03 -0.25888E-03 -0.38789E-03 2272 0.542E-02 0.153E-01 DAV: 6 -0.499362537612E+03 0.28022E-03 -0.84833E-04 2112 0.403E-02 0.371E-02 DAV: 7 -0.499362528668E+03 0.89440E-05 -0.23242E-04 2176 0.197E-02 0.149E-02 DAV: 8 -0.499362527130E+03 0.15383E-05 -0.14842E-05 1600 0.696E-03 27 F= -.50457553E+03 E0= -.50456787E+03 d E =-.187187E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499353641027E+03 0.88876E-02 -0.34410E+00 1792 0.433E+00 0.453E-01 DAV: 2 -0.499362054579E+03 -0.84136E-02 -0.73783E-02 2176 0.610E-01 0.466E-01 DAV: 3 -0.499362249137E+03 -0.19456E-03 -0.45535E-03 2080 0.225E-01 0.397E-01 DAV: 4 -0.499359662910E+03 0.25862E-02 -0.12335E-03 2048 0.127E-01 0.146E-01 DAV: 5 -0.499360191980E+03 -0.52907E-03 -0.47445E-03 2240 0.103E-01 0.234E-01 DAV: 6 -0.499359688370E+03 0.50361E-03 -0.47849E-03 2336 0.600E-02 0.767E-02 DAV: 7 -0.499359629914E+03 0.58456E-04 -0.19828E-04 2112 0.322E-02 0.267E-02 DAV: 8 -0.499359625019E+03 0.48954E-05 -0.27575E-05 1984 0.133E-02 28 F= -.50457445E+03 E0= -.50456676E+03 d E =-.798141E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499358614943E+03 0.10150E-02 -0.20566E+00 1792 0.335E+00 0.350E-01 DAV: 2 -0.499363414942E+03 -0.48000E-02 -0.44521E-02 2048 0.471E-01 0.317E-01 DAV: 3 -0.499363844687E+03 -0.42975E-03 -0.23657E-03 2080 0.166E-01 0.356E-01 DAV: 4 -0.499362305262E+03 0.15394E-02 -0.79339E-04 2080 0.107E-01 0.134E-01 DAV: 5 -0.499362229888E+03 0.75375E-04 -0.70945E-04 1920 0.711E-02 0.428E-02 DAV: 6 -0.499362226916E+03 0.29719E-05 -0.20876E-04 2016 0.315E-02 0.299E-02 DAV: 7 -0.499362228887E+03 -0.19710E-05 -0.31615E-04 1824 0.149E-02 0.304E-02 DAV: 8 -0.499362219597E+03 0.92899E-05 -0.74643E-05 1600 0.929E-03 29 F= -.50457563E+03 E0= -.50456800E+03 d E =-.197907E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499361984226E+03 0.24466E-03 -0.38051E-01 1792 0.142E+00 0.143E-01 DAV: 2 -0.499362721122E+03 -0.73690E-03 -0.80574E-03 2144 0.193E-01 0.920E-02 DAV: 3 -0.499362769685E+03 -0.48562E-04 -0.19320E-04 2112 0.423E-02 0.949E-02 DAV: 4 -0.499362722219E+03 0.47466E-04 -0.11109E-04 1888 0.364E-02 0.760E-02 DAV: 5 -0.499362671312E+03 0.50907E-04 -0.95004E-05 1760 0.291E-02 0.120E-02 DAV: 6 -0.499362676426E+03 -0.51140E-05 -0.73300E-05 2080 0.129E-02 30 F= -.50457684E+03 E0= -.50456916E+03 d E =-.120800E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499355875682E+03 0.67956E-02 -0.34280E+00 1792 0.427E+00 0.435E-01 DAV: 2 -0.499362522178E+03 -0.66465E-02 -0.72768E-02 2176 0.579E-01 0.268E-01 DAV: 3 -0.499362457057E+03 0.65122E-04 -0.18557E-03 2208 0.107E-01 0.206E-01 DAV: 4 -0.499363440971E+03 -0.98391E-03 -0.26934E-03 2080 0.113E-01 0.341E-01 DAV: 5 -0.499362179720E+03 0.12613E-02 -0.32174E-03 2048 0.106E-01 0.548E-02 DAV: 6 -0.499362250590E+03 -0.70870E-04 -0.16167E-03 2240 0.456E-02 0.832E-02 DAV: 7 -0.499362170125E+03 0.80465E-04 -0.60631E-04 2208 0.245E-02 0.197E-02 DAV: 8 -0.499362167776E+03 0.23485E-05 -0.31856E-05 2048 0.102E-02 31 F= -.50457858E+03 E0= -.50457096E+03 d E =-.294281E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499360994629E+03 0.11755E-02 -0.94684E-01 1792 0.226E+00 0.237E-01 DAV: 2 -0.499362843077E+03 -0.18484E-02 -0.20146E-02 2176 0.308E-01 0.128E-01 DAV: 3 -0.499362759561E+03 0.83516E-04 -0.51045E-04 2240 0.540E-02 0.824E-02 DAV: 4 -0.499363056605E+03 -0.29704E-03 -0.31353E-03 2368 0.587E-02 0.153E-01 DAV: 5 -0.499362734388E+03 0.32222E-03 -0.12104E-03 2272 0.428E-02 0.200E-02 DAV: 6 -0.499362736385E+03 -0.19975E-05 -0.65772E-05 2176 0.184E-02 32 F= -.50458048E+03 E0= -.50457291E+03 d E =-.190786E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499357655875E+03 0.50785E-02 -0.22913E+00 1792 0.351E+00 0.369E-01 DAV: 2 -0.499362104978E+03 -0.44491E-02 -0.48473E-02 2176 0.478E-01 0.201E-01 DAV: 3 -0.499361902581E+03 0.20240E-03 -0.10403E-03 2176 0.833E-02 0.128E-01 DAV: 4 -0.499362657315E+03 -0.75473E-03 -0.40503E-03 2176 0.969E-02 0.222E-01 DAV: 5 -0.499361888631E+03 0.76868E-03 -0.75990E-04 2048 0.720E-02 0.728E-02 DAV: 6 -0.499361887537E+03 0.10938E-05 -0.13990E-03 2016 0.345E-02 0.601E-02 DAV: 7 -0.499361844961E+03 0.42576E-04 -0.15038E-04 2112 0.240E-02 0.152E-02 DAV: 8 -0.499361845051E+03 -0.89622E-07 -0.15738E-05 1952 0.814E-03 33 F= -.50458167E+03 E0= -.50457419E+03 d E =-.309240E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499358981747E+03 0.28632E-02 -0.14616E+00 1792 0.281E+00 0.335E-01 DAV: 2 -0.499362046846E+03 -0.30651E-02 -0.31307E-02 2176 0.387E-01 0.226E-01 DAV: 3 -0.499363219220E+03 -0.11724E-02 -0.22211E-03 2048 0.141E-01 0.320E-01 DAV: 4 -0.499361642248E+03 0.15770E-02 -0.76446E-04 2112 0.974E-02 0.976E-02 DAV: 5 -0.499362050579E+03 -0.40833E-03 -0.41884E-03 2208 0.690E-02 0.183E-01 DAV: 6 -0.499361634514E+03 0.41607E-03 -0.21014E-03 2208 0.451E-02 0.215E-02 DAV: 7 -0.499361636898E+03 -0.23843E-05 -0.54879E-05 2176 0.160E-02 34 F= -.50458329E+03 E0= -.50457587E+03 d E =-.162548E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499360526630E+03 0.11079E-02 -0.26313E-01 1792 0.119E+00 0.144E-01 DAV: 2 -0.499361108946E+03 -0.58232E-03 -0.57142E-03 2176 0.166E-01 0.103E-01 DAV: 3 -0.499361351073E+03 -0.24213E-03 -0.36366E-04 2016 0.640E-02 0.155E-01 DAV: 4 -0.499361014371E+03 0.33670E-03 -0.14506E-04 2080 0.433E-02 0.403E-02 DAV: 5 -0.499361030671E+03 -0.16300E-04 -0.20317E-04 2240 0.231E-02 0.357E-02 DAV: 6 -0.499361020189E+03 0.10482E-04 -0.28198E-04 1920 0.136E-02 0.183E-02 DAV: 7 -0.499361016989E+03 0.31996E-05 -0.25406E-05 1536 0.705E-03 35 F= -.50458345E+03 E0= -.50457606E+03 d E =-.177986E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499357950266E+03 0.30699E-02 -0.15749E+00 1792 0.292E+00 0.319E-01 DAV: 2 -0.499360978298E+03 -0.30280E-02 -0.32991E-02 2176 0.394E-01 0.161E-01 DAV: 3 -0.499360999912E+03 -0.21614E-04 -0.70104E-04 2208 0.825E-02 0.141E-01 DAV: 4 -0.499361133907E+03 -0.13399E-03 -0.46812E-04 2080 0.732E-02 0.168E-01 DAV: 5 -0.499360789760E+03 0.34415E-03 -0.29847E-04 1952 0.588E-02 0.228E-02 DAV: 6 -0.499360796687E+03 -0.69275E-05 -0.85571E-05 2112 0.219E-02 36 F= -.50458516E+03 E0= -.50457779E+03 d E =-.171057E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499358613714E+03 0.21760E-02 -0.67553E-01 1792 0.191E+00 0.212E-01 DAV: 2 -0.499359936296E+03 -0.13226E-02 -0.14346E-02 2144 0.259E-01 0.107E-01 DAV: 3 -0.499360000669E+03 -0.64373E-04 -0.89017E-04 2176 0.589E-02 0.110E-01 DAV: 4 -0.499359948331E+03 0.52338E-04 -0.91559E-04 2016 0.485E-02 0.921E-02 DAV: 5 -0.499359886006E+03 0.62325E-04 -0.12790E-04 1920 0.378E-02 0.462E-02 DAV: 6 -0.499359869069E+03 0.16937E-04 -0.43605E-04 2016 0.208E-02 0.278E-02 DAV: 7 -0.499359861631E+03 0.74383E-05 -0.80938E-05 1632 0.111E-02 37 F= -.50458548E+03 E0= -.50457820E+03 d E =-.203136E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499358355157E+03 0.15139E-02 -0.10270E+00 1792 0.235E+00 0.247E-01 DAV: 2 -0.499360475014E+03 -0.21199E-02 -0.21500E-02 2176 0.320E-01 0.167E-01 DAV: 3 -0.499361067172E+03 -0.59216E-03 -0.90459E-04 2048 0.105E-01 0.234E-01 DAV: 4 -0.499360223822E+03 0.84335E-03 -0.42504E-04 2080 0.742E-02 0.727E-02 DAV: 5 -0.499360225546E+03 -0.17243E-05 -0.37841E-04 1952 0.442E-02 0.307E-02 DAV: 6 -0.499360239948E+03 -0.14402E-04 -0.49735E-04 2272 0.219E-02 0.429E-02 DAV: 7 -0.499360218428E+03 0.21520E-04 -0.15656E-04 1664 0.125E-02 0.887E-03 DAV: 8 -0.499360218655E+03 -0.22732E-06 -0.61334E-06 1408 0.551E-03 38 F= -.50458721E+03 E0= -.50457997E+03 d E =-.173501E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499347144966E+03 0.13073E-01 -0.64378E+00 1792 0.590E+00 0.616E-01 DAV: 2 -0.499360252140E+03 -0.13107E-01 -0.13357E-01 2176 0.801E-01 0.416E-01 DAV: 3 -0.499363293308E+03 -0.30412E-02 -0.55567E-03 2112 0.261E-01 0.485E-01 DAV: 4 -0.499358647397E+03 0.46459E-02 -0.25538E-03 2112 0.176E-01 0.167E-01 DAV: 5 -0.499358861907E+03 -0.21451E-03 -0.22104E-03 2208 0.112E-01 0.136E-01 DAV: 6 -0.499358755485E+03 0.10642E-03 -0.20111E-03 1984 0.620E-02 0.915E-02 DAV: 7 -0.499358685004E+03 0.70481E-04 -0.66453E-04 2240 0.283E-02 0.511E-02 DAV: 8 -0.499358660342E+03 0.24662E-04 -0.46259E-05 1920 0.239E-02 0.288E-02 DAV: 9 -0.499358652169E+03 0.81724E-05 -0.13075E-05 1408 0.125E-02 39 F= -.50458904E+03 E0= -.50458198E+03 d E =-.356424E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499356375841E+03 0.22845E-02 -0.13562E+00 1792 0.269E+00 0.292E-01 DAV: 2 -0.499359239219E+03 -0.28634E-02 -0.28888E-02 2176 0.370E-01 0.209E-01 DAV: 3 -0.499360034682E+03 -0.79546E-03 -0.14021E-03 2016 0.131E-01 0.273E-01 DAV: 4 -0.499358833422E+03 0.12013E-02 -0.62500E-04 2016 0.876E-02 0.838E-02 DAV: 5 -0.499358833343E+03 0.78311E-07 -0.38066E-04 2144 0.452E-02 0.313E-02 DAV: 6 -0.499358851581E+03 -0.18237E-04 -0.31620E-04 2240 0.228E-02 0.414E-02 DAV: 7 -0.499358833250E+03 0.18330E-04 -0.24892E-04 1792 0.128E-02 0.133E-02 DAV: 8 -0.499358832482E+03 0.76858E-06 -0.12997E-05 1440 0.562E-03 40 F= -.50459068E+03 E0= -.50458360E+03 d E =-.163406E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499357211072E+03 0.16222E-02 -0.55077E-01 1792 0.172E+00 0.187E-01 DAV: 2 -0.499358417835E+03 -0.12068E-02 -0.11791E-02 2176 0.237E-01 0.144E-01 DAV: 3 -0.499358729457E+03 -0.31162E-03 -0.62918E-04 2080 0.868E-02 0.185E-01 DAV: 4 -0.499358210715E+03 0.51874E-03 -0.26428E-04 2144 0.566E-02 0.543E-02 DAV: 5 -0.499358211976E+03 -0.12613E-05 -0.17474E-04 2144 0.295E-02 0.222E-02 DAV: 6 -0.499358226790E+03 -0.14814E-04 -0.29048E-04 2016 0.168E-02 0.373E-02 DAV: 7 -0.499358210355E+03 0.16435E-04 -0.14519E-04 1568 0.103E-02 0.682E-03 DAV: 8 -0.499358210515E+03 -0.16006E-06 -0.39888E-06 1408 0.410E-03 41 F= -.50459097E+03 E0= -.50458393E+03 d E =-.192762E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499356003151E+03 0.22072E-02 -0.14294E+00 1792 0.276E+00 0.295E-01 DAV: 2 -0.499358759599E+03 -0.27564E-02 -0.29885E-02 2176 0.370E-01 0.152E-01 DAV: 3 -0.499358719185E+03 0.40415E-04 -0.62254E-04 2240 0.726E-02 0.123E-01 DAV: 4 -0.499358934253E+03 -0.21507E-03 -0.40766E-04 2112 0.666E-02 0.166E-01 DAV: 5 -0.499358590033E+03 0.34422E-03 -0.32106E-04 1984 0.598E-02 0.241E-02 DAV: 6 -0.499358595218E+03 -0.51849E-05 -0.10400E-04 2304 0.227E-02 0.163E-02 DAV: 7 -0.499358596078E+03 -0.86005E-06 -0.85584E-05 1664 0.901E-03 42 F= -.50459272E+03 E0= -.50458579E+03 d E =-.175089E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499354907418E+03 0.36878E-02 -0.15918E+00 1792 0.291E+00 0.313E-01 DAV: 2 -0.499358001923E+03 -0.30945E-02 -0.33368E-02 2176 0.391E-01 0.161E-01 DAV: 3 -0.499358004473E+03 -0.25498E-05 -0.76463E-04 2240 0.796E-02 0.140E-01 DAV: 4 -0.499358112399E+03 -0.10793E-03 -0.50058E-04 2176 0.695E-02 0.157E-01 DAV: 5 -0.499357824491E+03 0.28791E-03 -0.33893E-04 2048 0.604E-02 0.294E-02 DAV: 6 -0.499357845288E+03 -0.20796E-04 -0.37905E-04 2272 0.265E-02 0.423E-02 DAV: 7 -0.499357824297E+03 0.20991E-04 -0.23839E-04 1888 0.138E-02 0.125E-02 DAV: 8 -0.499357823729E+03 0.56856E-06 -0.99059E-06 1472 0.555E-03 43 F= -.50459337E+03 E0= -.50458657E+03 d E =-.240042E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499354777792E+03 0.30465E-02 -0.18861E+00 1792 0.318E+00 0.318E-01 DAV: 2 -0.499358423762E+03 -0.36460E-02 -0.39682E-02 2176 0.433E-01 0.185E-01 DAV: 3 -0.499358552803E+03 -0.12904E-03 -0.87753E-04 2208 0.938E-02 0.182E-01 DAV: 4 -0.499358393521E+03 0.15928E-03 -0.51205E-04 2176 0.763E-02 0.144E-01 DAV: 5 -0.499358186709E+03 0.20681E-03 -0.39744E-04 2016 0.619E-02 0.294E-02 DAV: 6 -0.499358189250E+03 -0.25410E-05 -0.10016E-04 2080 0.255E-02 0.139E-02 DAV: 7 -0.499358189896E+03 -0.64562E-06 -0.38238E-05 1568 0.902E-03 44 F= -.50459523E+03 E0= -.50458852E+03 d E =-.185499E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499355572230E+03 0.26170E-02 -0.10592E+00 1792 0.238E+00 0.240E-01 DAV: 2 -0.499357643590E+03 -0.20714E-02 -0.22393E-02 2176 0.325E-01 0.141E-01 DAV: 3 -0.499357783754E+03 -0.14016E-03 -0.90008E-04 2112 0.756E-02 0.151E-01 DAV: 4 -0.499357584183E+03 0.19957E-03 -0.42634E-04 1952 0.585E-02 0.949E-02 DAV: 5 -0.499357564619E+03 0.19563E-04 -0.54419E-04 1952 0.480E-02 0.652E-02 DAV: 6 -0.499357518516E+03 0.46103E-04 -0.87637E-04 2048 0.278E-02 0.280E-02 DAV: 7 -0.499357510681E+03 0.78356E-05 -0.89949E-05 2144 0.137E-02 45 F= -.50459565E+03 E0= -.50458900E+03 d E =-.227972E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499354304330E+03 0.32142E-02 -0.18579E+00 1792 0.315E+00 0.372E-01 DAV: 2 -0.499358513200E+03 -0.42089E-02 -0.39870E-02 2080 0.436E-01 0.269E-01 DAV: 3 -0.499359694220E+03 -0.11810E-02 -0.24194E-03 2080 0.174E-01 0.320E-01 DAV: 4 -0.499357712407E+03 0.19818E-02 -0.98529E-04 2144 0.107E-01 0.865E-02 DAV: 5 -0.499357767836E+03 -0.55428E-04 -0.63412E-04 2304 0.594E-02 0.710E-02 DAV: 6 -0.499357730065E+03 0.37771E-04 -0.40544E-04 1984 0.323E-02 0.400E-02 DAV: 7 -0.499357715900E+03 0.14165E-04 -0.20464E-04 2016 0.136E-02 0.222E-02 DAV: 8 -0.499357713275E+03 0.26244E-05 -0.11123E-05 1504 0.101E-02 46 F= -.50459737E+03 E0= -.50459074E+03 d E =-.171673E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499355729257E+03 0.19866E-02 -0.75523E-01 1792 0.201E+00 0.238E-01 DAV: 2 -0.499357514649E+03 -0.17854E-02 -0.16307E-02 2048 0.281E-01 0.187E-01 DAV: 3 -0.499357905900E+03 -0.39125E-03 -0.10437E-03 2016 0.114E-01 0.214E-01 DAV: 4 -0.499357100269E+03 0.80563E-03 -0.39525E-04 2080 0.688E-02 0.536E-02 DAV: 5 -0.499357111461E+03 -0.11192E-04 -0.24953E-04 2304 0.362E-02 0.305E-02 DAV: 6 -0.499357107631E+03 0.38301E-05 -0.10016E-04 2048 0.166E-02 0.198E-02 DAV: 7 -0.499357104710E+03 0.29213E-05 -0.77129E-05 1664 0.789E-03 47 F= -.50459772E+03 E0= -.50459136E+03 d E =-.206564E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499354842355E+03 0.22653E-02 -0.13366E+00 1792 0.267E+00 0.319E-01 DAV: 2 -0.499357824017E+03 -0.29817E-02 -0.28620E-02 2176 0.368E-01 0.225E-01 DAV: 3 -0.499358700743E+03 -0.87673E-03 -0.17236E-03 2080 0.145E-01 0.273E-01 DAV: 4 -0.499357268048E+03 0.14327E-02 -0.72870E-04 2112 0.949E-02 0.683E-02 DAV: 5 -0.499357292119E+03 -0.24071E-04 -0.40763E-04 2272 0.477E-02 0.445E-02 DAV: 6 -0.499357273876E+03 0.18243E-04 -0.78118E-05 2144 0.223E-02 0.175E-02 DAV: 7 -0.499357274809E+03 -0.93292E-06 -0.78182E-05 1664 0.941E-03 48 F= -.50459908E+03 E0= -.50459277E+03 d E =-.136209E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499356650517E+03 0.62336E-03 -0.16622E-01 1792 0.942E-01 0.113E-01 DAV: 2 -0.499357000696E+03 -0.35018E-03 -0.35870E-03 2176 0.129E-01 0.644E-02 DAV: 3 -0.499357112430E+03 -0.11173E-03 -0.16801E-04 2048 0.437E-02 0.964E-02 DAV: 4 -0.499356964589E+03 0.14784E-03 -0.86998E-05 1952 0.335E-02 0.272E-02 DAV: 5 -0.499356963826E+03 0.76272E-06 -0.53843E-05 1888 0.157E-02 49 F= -.50459919E+03 E0= -.50459290E+03 d E =-.146843E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499355329392E+03 0.16352E-02 -0.98567E-01 1792 0.229E+00 0.255E-01 DAV: 2 -0.499357271265E+03 -0.19419E-02 -0.20842E-02 2176 0.310E-01 0.139E-01 DAV: 3 -0.499357438537E+03 -0.16727E-03 -0.12929E-03 1920 0.728E-02 0.166E-01 DAV: 4 -0.499357211195E+03 0.22734E-03 -0.12748E-03 1920 0.643E-02 0.920E-02 DAV: 5 -0.499357160590E+03 0.50605E-04 -0.26919E-04 1984 0.425E-02 0.585E-02 DAV: 6 -0.499357124288E+03 0.36302E-04 -0.51811E-04 2144 0.235E-02 0.219E-02 DAV: 7 -0.499357120058E+03 0.42294E-05 -0.31867E-05 2016 0.127E-02 50 F= -.50460038E+03 E0= -.50459415E+03 d E =-.119200E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499354472287E+03 0.26520E-02 -0.10674E+00 1792 0.239E+00 0.265E-01 DAV: 2 -0.499356570168E+03 -0.20979E-02 -0.22357E-02 2176 0.322E-01 0.141E-01 DAV: 3 -0.499356693802E+03 -0.12363E-03 -0.51695E-04 1920 0.700E-02 0.152E-01 DAV: 4 -0.499356540557E+03 0.15324E-03 -0.30675E-04 1920 0.647E-02 0.101E-01 DAV: 5 -0.499356419560E+03 0.12100E-03 -0.21399E-04 1952 0.411E-02 0.198E-02 DAV: 6 -0.499356422224E+03 -0.26637E-05 -0.51200E-05 2208 0.178E-02 51 F= -.50460075E+03 E0= -.50459459E+03 d E =-.156477E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499355444184E+03 0.97538E-03 -0.59794E-01 1792 0.178E+00 0.185E-01 DAV: 2 -0.499356682223E+03 -0.12380E-02 -0.12670E-02 2112 0.243E-01 0.113E-01 DAV: 3 -0.499356945037E+03 -0.26281E-03 -0.62263E-04 2016 0.775E-02 0.154E-01 DAV: 4 -0.499356555231E+03 0.38981E-03 -0.22755E-04 1984 0.524E-02 0.459E-02 DAV: 5 -0.499356586373E+03 -0.31142E-04 -0.49259E-04 2112 0.319E-02 0.491E-02 DAV: 6 -0.499356555966E+03 0.30407E-04 -0.39611E-04 2144 0.186E-02 0.137E-02 DAV: 7 -0.499356555243E+03 0.72295E-06 -0.17816E-05 1952 0.812E-03 52 F= -.50460171E+03 E0= -.50459562E+03 d E =-.954903E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499347921707E+03 0.86343E-02 -0.41044E+00 1792 0.467E+00 0.480E-01 DAV: 2 -0.499356268682E+03 -0.83470E-02 -0.85833E-02 2176 0.633E-01 0.292E-01 DAV: 3 -0.499357685229E+03 -0.14165E-02 -0.33919E-03 2080 0.200E-01 0.339E-01 DAV: 4 -0.499355387038E+03 0.22982E-02 -0.14539E-03 2080 0.128E-01 0.112E-01 DAV: 5 -0.499355445720E+03 -0.58682E-04 -0.91627E-04 2112 0.730E-02 0.761E-02 DAV: 6 -0.499355396683E+03 0.49037E-04 -0.18828E-04 1920 0.391E-02 0.342E-02 DAV: 7 -0.499355397557E+03 -0.87400E-06 -0.21242E-04 2016 0.212E-02 0.320E-02 DAV: 8 -0.499355391147E+03 0.64099E-05 -0.12023E-04 1664 0.119E-02 0.206E-02 DAV: 9 -0.499355384784E+03 0.63638E-05 -0.68314E-06 1248 0.849E-03 53 F= -.50460267E+03 E0= -.50459684E+03 d E =-.191994E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499353208069E+03 0.21831E-02 -0.13221E+00 1792 0.267E+00 0.264E-01 DAV: 2 -0.499355776957E+03 -0.25689E-02 -0.27312E-02 2176 0.360E-01 0.152E-01 DAV: 3 -0.499356013552E+03 -0.23659E-03 -0.75413E-04 2080 0.921E-02 0.173E-01 DAV: 4 -0.499355593162E+03 0.42039E-03 -0.37946E-04 1920 0.653E-02 0.804E-02 DAV: 5 -0.499355561229E+03 0.31933E-04 -0.29883E-04 1984 0.463E-02 0.170E-02 DAV: 6 -0.499355564366E+03 -0.31369E-05 -0.85887E-05 2144 0.188E-02 54 F= -.50460410E+03 E0= -.50459826E+03 d E =-.142511E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499348215418E+03 0.73458E-02 -0.34687E+00 1792 0.433E+00 0.430E-01 DAV: 2 -0.499354945806E+03 -0.67304E-02 -0.71778E-02 2176 0.584E-01 0.241E-01 DAV: 3 -0.499355374409E+03 -0.42860E-03 -0.24872E-03 2112 0.142E-01 0.249E-01 DAV: 4 -0.499354535874E+03 0.83854E-03 -0.98839E-04 2016 0.102E-01 0.134E-01 DAV: 5 -0.499354624934E+03 -0.89060E-04 -0.27251E-03 2016 0.852E-02 0.108E-01 DAV: 6 -0.499354446106E+03 0.17883E-03 -0.17637E-03 2208 0.470E-02 0.293E-02 DAV: 7 -0.499354437012E+03 0.90936E-05 -0.82462E-05 2176 0.215E-02 55 F= -.50460498E+03 E0= -.50459928E+03 d E =-.230554E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499352751626E+03 0.16945E-02 -0.11543E+00 1792 0.250E+00 0.257E-01 DAV: 2 -0.499355116602E+03 -0.23650E-02 -0.24254E-02 2144 0.340E-01 0.159E-01 DAV: 3 -0.499355510492E+03 -0.39389E-03 -0.95466E-04 2016 0.106E-01 0.193E-01 DAV: 4 -0.499354858010E+03 0.65248E-03 -0.42527E-04 1952 0.708E-02 0.636E-02 DAV: 5 -0.499354860826E+03 -0.28158E-05 -0.28216E-04 2080 0.392E-02 0.229E-02 DAV: 6 -0.499354865383E+03 -0.45567E-05 -0.15414E-04 2048 0.180E-02 0.223E-02 DAV: 7 -0.499354859862E+03 0.55207E-05 -0.90746E-05 1664 0.943E-03 56 F= -.50460648E+03 E0= -.50460090E+03 d E =-.150659E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499344597447E+03 0.10268E-01 -0.52754E+00 1792 0.534E+00 0.548E-01 DAV: 2 -0.499355193389E+03 -0.10596E-01 -0.10981E-01 2176 0.724E-01 0.336E-01 DAV: 3 -0.499356678387E+03 -0.14850E-02 -0.42678E-03 2080 0.224E-01 0.356E-01 DAV: 4 -0.499354039348E+03 0.26390E-02 -0.18540E-03 1984 0.142E-01 0.132E-01 DAV: 5 -0.499354179791E+03 -0.14044E-03 -0.13137E-03 2112 0.891E-02 0.108E-01 DAV: 6 -0.499354079408E+03 0.10038E-03 -0.30264E-04 1952 0.568E-02 0.530E-02 DAV: 7 -0.499354052791E+03 0.26617E-04 -0.94064E-05 1888 0.323E-02 0.358E-02 DAV: 8 -0.499354041969E+03 0.10823E-04 -0.62785E-05 1568 0.103E-02 0.245E-02 DAV: 9 -0.499354033973E+03 0.79955E-05 -0.15252E-05 1536 0.647E-03 57 F= -.50460797E+03 E0= -.50460235E+03 d E =-.299108E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499352057442E+03 0.19845E-02 -0.14332E+00 1792 0.278E+00 0.324E-01 DAV: 2 -0.499354784196E+03 -0.27268E-02 -0.30105E-02 2048 0.377E-01 0.150E-01 DAV: 3 -0.499354644369E+03 0.13983E-03 -0.56748E-04 2176 0.661E-02 0.865E-02 DAV: 4 -0.499354866968E+03 -0.22260E-03 -0.39040E-04 1984 0.603E-02 0.136E-01 DAV: 5 -0.499354612094E+03 0.25487E-03 -0.21371E-04 1984 0.487E-02 0.313E-02 DAV: 6 -0.499354605999E+03 0.60948E-05 -0.59732E-05 2176 0.211E-02 58 F= -.50460955E+03 E0= -.50460403E+03 d E =-.158427E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499351726484E+03 0.28856E-02 -0.13107E+00 1792 0.266E+00 0.312E-01 DAV: 2 -0.499354247953E+03 -0.25215E-02 -0.27677E-02 2048 0.361E-01 0.145E-01 DAV: 3 -0.499354153698E+03 0.94255E-04 -0.79799E-04 2176 0.672E-02 0.937E-02 DAV: 4 -0.499354394877E+03 -0.24118E-03 -0.11992E-03 2080 0.646E-02 0.153E-01 DAV: 5 -0.499354096473E+03 0.29840E-03 -0.53818E-04 2080 0.546E-02 0.356E-02 DAV: 6 -0.499354104069E+03 -0.75964E-05 -0.25253E-04 2208 0.258E-02 0.369E-02 DAV: 7 -0.499354085376E+03 0.18693E-04 -0.20037E-04 1952 0.150E-02 0.942E-03 DAV: 8 -0.499354085103E+03 0.27237E-06 -0.62712E-06 1504 0.504E-03 59 F= -.50461000E+03 E0= -.50460443E+03 d E =-.202906E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499350555655E+03 0.35297E-02 -0.19837E+00 1792 0.329E+00 0.358E-01 DAV: 2 -0.499354437941E+03 -0.38823E-02 -0.41387E-02 2176 0.444E-01 0.208E-01 DAV: 3 -0.499354797928E+03 -0.35999E-03 -0.12875E-03 2112 0.118E-01 0.207E-01 DAV: 4 -0.499354210962E+03 0.58697E-03 -0.78418E-04 2112 0.935E-02 0.115E-01 DAV: 5 -0.499354108529E+03 0.10243E-03 -0.35315E-04 2016 0.551E-02 0.276E-02 DAV: 6 -0.499354109007E+03 -0.47793E-06 -0.90239E-05 2080 0.231E-02 60 F= -.50461128E+03 E0= -.50460570E+03 d E =-.128822E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499352160581E+03 0.19479E-02 -0.75563E-01 1792 0.203E+00 0.223E-01 DAV: 2 -0.499353665238E+03 -0.15047E-02 -0.16059E-02 2176 0.275E-01 0.130E-01 DAV: 3 -0.499353810461E+03 -0.14522E-03 -0.11229E-03 2144 0.740E-02 0.131E-01 DAV: 4 -0.499353588036E+03 0.22242E-03 -0.38920E-04 2016 0.582E-02 0.739E-02 DAV: 5 -0.499353603444E+03 -0.15408E-04 -0.69768E-04 2016 0.425E-02 0.599E-02 DAV: 6 -0.499353545256E+03 0.58189E-04 -0.54237E-04 2240 0.247E-02 0.141E-02 DAV: 7 -0.499353544714E+03 0.54150E-06 -0.20473E-05 2016 0.103E-02 61 F= -.50461150E+03 E0= -.50460602E+03 d E =-.150314E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499350802927E+03 0.27423E-02 -0.16157E+00 1792 0.299E+00 0.293E-01 DAV: 2 -0.499353891669E+03 -0.30887E-02 -0.33243E-02 2176 0.400E-01 0.161E-01 DAV: 3 -0.499353931976E+03 -0.40307E-04 -0.72193E-04 2176 0.865E-02 0.143E-01 DAV: 4 -0.499353813411E+03 0.11856E-03 -0.45510E-04 2112 0.697E-02 0.113E-01 DAV: 5 -0.499353675758E+03 0.13765E-03 -0.28150E-04 1920 0.533E-02 0.240E-02 DAV: 6 -0.499353676911E+03 -0.11534E-05 -0.72979E-05 2112 0.217E-02 62 F= -.50461303E+03 E0= -.50460762E+03 d E =-.153246E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499350727434E+03 0.29483E-02 -0.12020E+00 1792 0.258E+00 0.255E-01 DAV: 2 -0.499353041424E+03 -0.23140E-02 -0.24878E-02 2176 0.346E-01 0.139E-01 DAV: 3 -0.499353071582E+03 -0.30158E-04 -0.63283E-04 2112 0.749E-02 0.123E-01 DAV: 4 -0.499352987631E+03 0.83951E-04 -0.37249E-04 2080 0.601E-02 0.971E-02 DAV: 5 -0.499352894437E+03 0.93195E-04 -0.26302E-04 1888 0.466E-02 0.301E-02 DAV: 6 -0.499352896193E+03 -0.17559E-05 -0.35598E-04 2272 0.233E-02 0.263E-02 DAV: 7 -0.499352886678E+03 0.95149E-05 -0.99630E-05 1664 0.121E-02 63 F= -.50461345E+03 E0= -.50460816E+03 d E =-.194937E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499350598086E+03 0.22981E-02 -0.13563E+00 1792 0.274E+00 0.277E-01 DAV: 2 -0.499353170551E+03 -0.25725E-02 -0.27579E-02 2208 0.365E-01 0.152E-01 DAV: 3 -0.499353160860E+03 0.96912E-05 -0.53080E-04 2080 0.728E-02 0.128E-01 DAV: 4 -0.499353143439E+03 0.17421E-04 -0.34780E-04 2080 0.633E-02 0.115E-01 DAV: 5 -0.499352997472E+03 0.14597E-03 -0.28682E-04 2016 0.540E-02 0.226E-02 DAV: 6 -0.499352995085E+03 0.23861E-05 -0.65308E-05 2144 0.214E-02 64 F= -.50461496E+03 E0= -.50460973E+03 d E =-.151368E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499343574246E+03 0.94232E-02 -0.44957E+00 1792 0.499E+00 0.504E-01 DAV: 2 -0.499352057088E+03 -0.84828E-02 -0.91179E-02 2208 0.664E-01 0.276E-01 DAV: 3 -0.499351904324E+03 0.15276E-03 -0.16639E-03 2112 0.126E-01 0.214E-01 DAV: 4 -0.499352124000E+03 -0.21968E-03 -0.11959E-03 2048 0.115E-01 0.231E-01 DAV: 5 -0.499351524037E+03 0.59996E-03 -0.95733E-04 1920 0.106E-01 0.540E-02 DAV: 6 -0.499351489054E+03 0.34983E-04 -0.25271E-04 2048 0.424E-02 0.218E-02 DAV: 7 -0.499351489878E+03 -0.82428E-06 -0.10054E-04 2144 0.154E-02 0.178E-02 DAV: 8 -0.499351487225E+03 0.26529E-05 -0.57615E-05 1536 0.792E-03 65 F= -.50461601E+03 E0= -.50461093E+03 d E =-.256378E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499348266138E+03 0.32237E-02 -0.18014E+00 1792 0.316E+00 0.307E-01 DAV: 2 -0.499351697310E+03 -0.34312E-02 -0.36477E-02 2176 0.421E-01 0.176E-01 DAV: 3 -0.499351818711E+03 -0.12140E-03 -0.92023E-04 2048 0.978E-02 0.163E-01 DAV: 4 -0.499351512686E+03 0.30602E-03 -0.53085E-04 2048 0.762E-02 0.999E-02 DAV: 5 -0.499351429960E+03 0.82726E-04 -0.31842E-04 1888 0.510E-02 0.220E-02 DAV: 6 -0.499351434642E+03 -0.46823E-05 -0.11033E-04 2048 0.221E-02 0.167E-02 DAV: 7 -0.499351433091E+03 0.15515E-05 -0.64540E-05 1632 0.932E-03 66 F= -.50461763E+03 E0= -.50461265E+03 d E =-.162254E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499343629935E+03 0.78047E-02 -0.35899E+00 1792 0.446E+00 0.434E-01 DAV: 2 -0.499350466939E+03 -0.68370E-02 -0.72530E-02 2176 0.594E-01 0.252E-01 DAV: 3 -0.499350716675E+03 -0.24974E-03 -0.19194E-03 2048 0.143E-01 0.227E-01 DAV: 4 -0.499350024367E+03 0.69231E-03 -0.10761E-03 2048 0.107E-01 0.129E-01 DAV: 5 -0.499349913057E+03 0.11131E-03 -0.60827E-04 1920 0.681E-02 0.297E-02 DAV: 6 -0.499349919101E+03 -0.60439E-05 -0.14721E-04 2080 0.289E-02 0.192E-02 DAV: 7 -0.499349919036E+03 0.64985E-07 -0.70410E-05 1632 0.115E-02 67 F= -.50461848E+03 E0= -.50461368E+03 d E =-.247012E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499345264459E+03 0.46546E-02 -0.26258E+00 1792 0.382E+00 0.434E-01 DAV: 2 -0.499350260686E+03 -0.49962E-02 -0.53983E-02 2240 0.509E-01 0.230E-01 DAV: 3 -0.499350204748E+03 0.55938E-04 -0.12613E-03 2016 0.104E-01 0.189E-01 DAV: 4 -0.499350209497E+03 -0.47497E-05 -0.79247E-04 1888 0.102E-01 0.154E-01 DAV: 5 -0.499349854442E+03 0.35506E-03 -0.57442E-04 1984 0.687E-02 0.392E-02 DAV: 6 -0.499349845358E+03 0.90833E-05 -0.24466E-04 2272 0.330E-02 0.238E-02 DAV: 7 -0.499349842775E+03 0.25834E-05 -0.97677E-05 2144 0.138E-02 68 F= -.50462023E+03 E0= -.50461546E+03 d E =-.174459E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499347715575E+03 0.21298E-02 -0.78511E-01 1792 0.209E+00 0.240E-01 DAV: 2 -0.499349237319E+03 -0.15217E-02 -0.16265E-02 2240 0.279E-01 0.130E-01 DAV: 3 -0.499349272655E+03 -0.35336E-04 -0.45149E-04 1952 0.644E-02 0.121E-01 DAV: 4 -0.499349174115E+03 0.98540E-04 -0.24310E-04 1920 0.574E-02 0.788E-02 DAV: 5 -0.499349098997E+03 0.75118E-04 -0.17922E-04 2016 0.379E-02 0.159E-02 DAV: 6 -0.499349100907E+03 -0.19103E-05 -0.61982E-05 2272 0.163E-02 69 F= -.50462048E+03 E0= -.50461581E+03 d E =-.199571E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499345809421E+03 0.32896E-02 -0.21468E+00 1792 0.345E+00 0.344E-01 DAV: 2 -0.499349874228E+03 -0.40648E-02 -0.44022E-02 2176 0.464E-01 0.195E-01 DAV: 3 -0.499349864641E+03 0.95868E-05 -0.10919E-03 2048 0.103E-01 0.153E-01 DAV: 4 -0.499349765810E+03 0.98832E-04 -0.66920E-04 2112 0.836E-02 0.128E-01 DAV: 5 -0.499349590323E+03 0.17549E-03 -0.36193E-04 1984 0.607E-02 0.329E-02 DAV: 6 -0.499349593574E+03 -0.32515E-05 -0.21043E-04 2112 0.288E-02 0.225E-02 DAV: 7 -0.499349588020E+03 0.55545E-05 -0.10827E-04 1696 0.123E-02 0.113E-02 DAV: 8 -0.499349587276E+03 0.74389E-06 -0.10086E-05 1536 0.511E-03 70 F= -.50462235E+03 E0= -.50461782E+03 d E =-.187541E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499341434616E+03 0.81534E-02 -0.41763E+00 1792 0.482E+00 0.478E-01 DAV: 2 -0.499349259422E+03 -0.78248E-02 -0.85170E-02 2176 0.646E-01 0.269E-01 DAV: 3 -0.499349103242E+03 0.15618E-03 -0.19221E-03 2048 0.136E-01 0.194E-01 DAV: 4 -0.499349123584E+03 -0.20342E-04 -0.12655E-03 2112 0.114E-01 0.189E-01 DAV: 5 -0.499348720416E+03 0.40317E-03 -0.68862E-04 1920 0.893E-02 0.499E-02 DAV: 6 -0.499348700247E+03 0.20169E-04 -0.18560E-04 2048 0.400E-02 0.180E-02 DAV: 7 -0.499348698915E+03 0.13321E-05 -0.20610E-05 1824 0.110E-02 71 F= -.50462339E+03 E0= -.50461904E+03 d E =-.290705E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499345247513E+03 0.34527E-02 -0.22695E+00 1792 0.355E+00 0.324E-01 DAV: 2 -0.499349479415E+03 -0.42319E-02 -0.46352E-02 2208 0.476E-01 0.192E-01 DAV: 3 -0.499349287055E+03 0.19236E-03 -0.82791E-04 2144 0.815E-02 0.127E-01 DAV: 4 -0.499349594745E+03 -0.30769E-03 -0.75741E-04 1920 0.815E-02 0.160E-01 DAV: 5 -0.499349230827E+03 0.36392E-03 -0.41950E-04 1920 0.690E-02 0.366E-02 DAV: 6 -0.499349220214E+03 0.10613E-04 -0.11196E-04 2112 0.292E-02 0.142E-02 DAV: 7 -0.499349220320E+03 -0.10574E-06 -0.22527E-05 1664 0.102E-02 72 F= -.50462539E+03 E0= -.50462117E+03 d E =-.200517E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499336882191E+03 0.12338E-01 -0.64159E+00 1792 0.597E+00 0.544E-01 DAV: 2 -0.499348793692E+03 -0.11912E-01 -0.13058E-01 2208 0.799E-01 0.324E-01 DAV: 3 -0.499348266442E+03 0.52725E-03 -0.23930E-03 2144 0.140E-01 0.218E-01 DAV: 4 -0.499349050319E+03 -0.78388E-03 -0.20570E-03 1984 0.135E-01 0.275E-01 DAV: 5 -0.499348085260E+03 0.96506E-03 -0.12665E-03 1952 0.122E-01 0.685E-02 DAV: 6 -0.499348029964E+03 0.55296E-04 -0.32419E-04 2048 0.511E-02 0.251E-02 DAV: 7 -0.499348028911E+03 0.10532E-05 -0.71916E-05 2208 0.178E-02 73 F= -.50462663E+03 E0= -.50462259E+03 d E =-.324948E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499344926717E+03 0.31032E-02 -0.19765E+00 1792 0.332E+00 0.306E-01 DAV: 2 -0.499348629107E+03 -0.37024E-02 -0.39933E-02 2240 0.441E-01 0.170E-01 DAV: 3 -0.499348439168E+03 0.18994E-03 -0.68172E-04 2208 0.727E-02 0.107E-01 DAV: 4 -0.499348625293E+03 -0.18613E-03 -0.80802E-04 1984 0.754E-02 0.121E-01 DAV: 5 -0.499348410433E+03 0.21486E-03 -0.35630E-04 1952 0.547E-02 0.303E-02 DAV: 6 -0.499348401656E+03 0.87776E-05 -0.83828E-05 2144 0.234E-02 74 F= -.50462840E+03 E0= -.50462441E+03 d E =-.176044E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499316251384E+03 0.32159E-01 -0.17764E+01 1792 0.996E+00 0.907E-01 DAV: 2 -0.499349114509E+03 -0.32863E-01 -0.35634E-01 2208 0.132E+00 0.511E-01 DAV: 3 -0.499347288365E+03 0.18261E-02 -0.57784E-03 2240 0.215E-01 0.319E-01 DAV: 4 -0.499347943562E+03 -0.65520E-03 -0.64730E-03 2176 0.216E-01 0.275E-01 DAV: 5 -0.499347075655E+03 0.86791E-03 -0.21048E-03 1920 0.139E-01 0.104E-01 DAV: 6 -0.499346912346E+03 0.16331E-03 -0.56209E-04 2048 0.697E-02 0.456E-02 DAV: 7 -0.499346909883E+03 0.24627E-05 -0.13094E-04 2176 0.260E-02 0.238E-02 DAV: 8 -0.499346909466E+03 0.41674E-06 -0.32668E-05 1664 0.118E-02 75 F= -.50463086E+03 E0= -.50462720E+03 d E =-.422672E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499343426435E+03 0.34834E-02 -0.28065E+00 1792 0.395E+00 0.397E-01 DAV: 2 -0.499348714586E+03 -0.52882E-02 -0.57121E-02 2176 0.531E-01 0.223E-01 DAV: 3 -0.499348544899E+03 0.16969E-03 -0.12751E-03 1984 0.109E-01 0.151E-01 DAV: 4 -0.499348538282E+03 0.66167E-05 -0.80719E-04 2080 0.905E-02 0.131E-01 DAV: 5 -0.499348339489E+03 0.19879E-03 -0.44747E-04 1952 0.684E-02 0.321E-02 DAV: 6 -0.499348336625E+03 0.28644E-05 -0.11633E-04 2144 0.297E-02 0.145E-02 DAV: 7 -0.499348336497E+03 0.12738E-06 -0.15866E-05 1536 0.848E-03 76 F= -.50463360E+03 E0= -.50463008E+03 d E =-.273657E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499341633382E+03 0.67032E-02 -0.36888E+00 1792 0.453E+00 0.455E-01 DAV: 2 -0.499348550896E+03 -0.69175E-02 -0.74976E-02 2176 0.608E-01 0.254E-01 DAV: 3 -0.499348275533E+03 0.27536E-03 -0.15771E-03 2016 0.119E-01 0.162E-01 DAV: 4 -0.499348367873E+03 -0.92340E-04 -0.10536E-03 2016 0.102E-01 0.152E-01 DAV: 5 -0.499348085779E+03 0.28209E-03 -0.57839E-04 1888 0.787E-02 0.386E-02 DAV: 6 -0.499348074263E+03 0.11516E-04 -0.14414E-04 2176 0.342E-02 0.158E-02 DAV: 7 -0.499348074609E+03 -0.34616E-06 -0.17441E-05 1824 0.957E-03 77 F= -.50463477E+03 E0= -.50463145E+03 d E =-.391260E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499344801048E+03 0.32732E-02 -0.28524E+00 1792 0.398E+00 0.421E-01 DAV: 2 -0.499350172870E+03 -0.53718E-02 -0.58294E-02 2240 0.530E-01 0.228E-01 DAV: 3 -0.499349894385E+03 0.27849E-03 -0.11152E-03 2176 0.920E-02 0.140E-01 DAV: 4 -0.499350061342E+03 -0.16696E-03 -0.83876E-04 1952 0.944E-02 0.119E-01 DAV: 5 -0.499349791183E+03 0.27016E-03 -0.43875E-04 2048 0.625E-02 0.288E-02 DAV: 6 -0.499349796982E+03 -0.57993E-05 -0.12885E-04 2304 0.278E-02 0.185E-02 DAV: 7 -0.499349795976E+03 0.10067E-05 -0.16164E-05 1728 0.969E-03 78 F= -.50463753E+03 E0= -.50463426E+03 d E =-.275340E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499342236008E+03 0.75610E-02 -0.46997E+00 1792 0.511E+00 0.540E-01 DAV: 2 -0.499351070737E+03 -0.88347E-02 -0.95951E-02 2272 0.680E-01 0.293E-01 DAV: 3 -0.499350610690E+03 0.46005E-03 -0.18595E-03 2112 0.119E-01 0.180E-01 DAV: 4 -0.499350846694E+03 -0.23600E-03 -0.13596E-03 1952 0.121E-01 0.147E-01 DAV: 5 -0.499350439175E+03 0.40752E-03 -0.70582E-04 2048 0.778E-02 0.389E-02 DAV: 6 -0.499350444422E+03 -0.52471E-05 -0.21809E-04 2304 0.375E-02 0.255E-02 DAV: 7 -0.499350441272E+03 0.31494E-05 -0.31921E-05 2080 0.138E-02 79 F= -.50463942E+03 E0= -.50463622E+03 d E =-.464158E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499348136960E+03 0.23075E-02 -0.11138E+00 1792 0.249E+00 0.265E-01 DAV: 2 -0.499350254014E+03 -0.21171E-02 -0.22906E-02 2272 0.332E-01 0.145E-01 DAV: 3 -0.499350158010E+03 0.96004E-04 -0.48389E-04 2048 0.618E-02 0.927E-02 DAV: 4 -0.499350194824E+03 -0.36814E-04 -0.30427E-04 2016 0.591E-02 0.759E-02 DAV: 5 -0.499350102867E+03 0.91957E-04 -0.17914E-04 2048 0.399E-02 0.172E-02 DAV: 6 -0.499350107327E+03 -0.44597E-05 -0.49546E-05 2304 0.170E-02 80 F= -.50463965E+03 E0= -.50463644E+03 d E =-.487953E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499344941921E+03 0.51609E-02 -0.39302E+00 1792 0.467E+00 0.464E-01 DAV: 2 -0.499352247984E+03 -0.73061E-02 -0.79281E-02 2176 0.626E-01 0.245E-01 DAV: 3 -0.499351911667E+03 0.33632E-03 -0.15458E-03 2112 0.115E-01 0.147E-01 DAV: 4 -0.499352060071E+03 -0.14840E-03 -0.10302E-03 2048 0.964E-02 0.138E-01 DAV: 5 -0.499351803831E+03 0.25624E-03 -0.50055E-04 2048 0.719E-02 0.379E-02 DAV: 6 -0.499351795135E+03 0.86962E-05 -0.12663E-04 2176 0.323E-02 0.140E-02 DAV: 7 -0.499351795576E+03 -0.44037E-06 -0.15172E-05 1760 0.941E-03 81 F= -.50464235E+03 E0= -.50463928E+03 d E =-.270100E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499347424375E+03 0.43708E-02 -0.25952E+00 1792 0.380E+00 0.377E-01 DAV: 2 -0.499352245207E+03 -0.48208E-02 -0.52397E-02 2176 0.509E-01 0.199E-01 DAV: 3 -0.499352009491E+03 0.23572E-03 -0.10031E-03 2080 0.914E-02 0.117E-01 DAV: 4 -0.499352096489E+03 -0.86998E-04 -0.68163E-04 2016 0.771E-02 0.104E-01 DAV: 5 -0.499351945888E+03 0.15060E-03 -0.30505E-04 1984 0.553E-02 0.294E-02 DAV: 6 -0.499351942027E+03 0.38615E-05 -0.79715E-05 2176 0.254E-02 82 F= -.50464327E+03 E0= -.50464025E+03 d E =-.361254E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499351257630E+03 0.68826E-03 -0.13853E+00 1920 0.279E+00 0.293E-01 DAV: 2 -0.499353831047E+03 -0.25734E-02 -0.28183E-02 2144 0.376E-01 0.180E-01 DAV: 3 -0.499353712975E+03 0.11807E-03 -0.63284E-04 2016 0.787E-02 0.114E-01 DAV: 4 -0.499353738707E+03 -0.25732E-04 -0.50179E-04 2112 0.699E-02 0.914E-02 DAV: 5 -0.499353635066E+03 0.10364E-03 -0.24671E-04 1984 0.499E-02 0.207E-02 DAV: 6 -0.499353632589E+03 0.24767E-05 -0.55904E-05 2176 0.203E-02 83 F= -.50464572E+03 E0= -.50464282E+03 d E =-.245814E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499347127202E+03 0.65079E-02 -0.40829E+00 1856 0.479E+00 0.501E-01 DAV: 2 -0.499354644194E+03 -0.75170E-02 -0.82759E-02 2176 0.644E-01 0.305E-01 DAV: 3 -0.499354239619E+03 0.40457E-03 -0.17205E-03 2080 0.127E-01 0.187E-01 DAV: 4 -0.499354355312E+03 -0.11569E-03 -0.14817E-03 2080 0.116E-01 0.147E-01 DAV: 5 -0.499354085518E+03 0.26979E-03 -0.68073E-04 2048 0.828E-02 0.404E-02 DAV: 6 -0.499354064022E+03 0.21496E-04 -0.14382E-04 2016 0.347E-02 0.180E-02 DAV: 7 -0.499354063978E+03 0.43685E-07 -0.29515E-05 2080 0.121E-02 84 F= -.50464742E+03 E0= -.50464474E+03 d E =-.415403E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499352663835E+03 0.14002E-02 -0.17827E+00 1856 0.317E+00 0.317E-01 DAV: 2 -0.499355975643E+03 -0.33118E-02 -0.36114E-02 2176 0.423E-01 0.161E-01 DAV: 3 -0.499355817866E+03 0.15778E-03 -0.63960E-04 2176 0.703E-02 0.976E-02 DAV: 4 -0.499355815750E+03 0.21165E-05 -0.57772E-04 2144 0.677E-02 0.434E-02 DAV: 5 -0.499355798048E+03 0.17701E-04 -0.14696E-04 2080 0.356E-02 0.247E-02 DAV: 6 -0.499355793673E+03 0.43751E-05 -0.48835E-05 1952 0.177E-02 85 F= -.50464986E+03 E0= -.50464735E+03 d E =-.244288E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499343051253E+03 0.12747E-01 -0.76229E+00 1792 0.655E+00 0.653E-01 DAV: 2 -0.499357162357E+03 -0.14111E-01 -0.15409E-01 2176 0.875E-01 0.335E-01 DAV: 3 -0.499356473522E+03 0.68884E-03 -0.27267E-03 2240 0.145E-01 0.204E-01 DAV: 4 -0.499356406044E+03 0.67478E-04 -0.25515E-03 2144 0.140E-01 0.796E-02 DAV: 5 -0.499356360797E+03 0.45247E-04 -0.57792E-04 2080 0.697E-02 0.467E-02 DAV: 6 -0.499356347593E+03 0.13204E-04 -0.19211E-04 2048 0.342E-02 0.246E-02 DAV: 7 -0.499356346324E+03 0.12687E-05 -0.22045E-05 2080 0.123E-02 86 F= -.50465182E+03 E0= -.50464945E+03 d E =-.439812E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499356296976E+03 0.50616E-04 -0.82310E-01 1792 0.215E+00 0.208E-01 DAV: 2 -0.499357824045E+03 -0.15271E-02 -0.16678E-02 2176 0.289E-01 0.115E-01 DAV: 3 -0.499357755425E+03 0.68620E-04 -0.29743E-04 2112 0.480E-02 0.687E-02 DAV: 4 -0.499357750158E+03 0.52665E-05 -0.21385E-04 2144 0.382E-02 0.251E-02 DAV: 5 -0.499357751697E+03 -0.15386E-05 -0.47841E-05 2016 0.197E-02 87 F= -.50465358E+03 E0= -.50465141E+03 d E =-.176050E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499347619916E+03 0.10130E-01 -0.73865E+00 1792 0.643E+00 0.623E-01 DAV: 2 -0.499361166104E+03 -0.13546E-01 -0.14864E-01 2176 0.863E-01 0.348E-01 DAV: 3 -0.499360508766E+03 0.65734E-03 -0.27092E-03 2144 0.145E-01 0.204E-01 DAV: 4 -0.499360402079E+03 0.10669E-03 -0.19089E-03 2080 0.112E-01 0.690E-02 DAV: 5 -0.499360406653E+03 -0.45743E-05 -0.38433E-04 2304 0.564E-02 0.336E-02 DAV: 6 -0.499360412764E+03 -0.61106E-05 -0.62627E-05 2080 0.209E-02 88 F= -.50465726E+03 E0= -.50465514E+03 d E =-.543871E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499307989235E+03 0.52417E-01 -0.29502E+01 1792 0.129E+01 0.124E+00 DAV: 2 -0.499361866043E+03 -0.53877E-01 -0.59191E-01 2176 0.172E+00 0.693E-01 DAV: 3 -0.499359216711E+03 0.26493E-02 -0.10798E-02 2176 0.287E-01 0.403E-01 DAV: 4 -0.499358716381E+03 0.50033E-03 -0.74172E-03 2080 0.222E-01 0.139E-01 DAV: 5 -0.499358725800E+03 -0.94197E-05 -0.14388E-03 2304 0.114E-01 0.588E-02 DAV: 6 -0.499358758954E+03 -0.33153E-04 -0.20758E-04 2112 0.346E-02 0.352E-02 DAV: 7 -0.499358762143E+03 -0.31886E-05 -0.25923E-05 2112 0.168E-02 89 F= -.50465742E+03 E0= -.50465585E+03 d E =-.559946E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499347971624E+03 0.10787E-01 -0.73375E+00 1792 0.642E+00 0.623E-01 DAV: 2 -0.499361526599E+03 -0.13555E-01 -0.14918E-01 2144 0.862E-01 0.348E-01 DAV: 3 -0.499360870251E+03 0.65635E-03 -0.27226E-03 2112 0.144E-01 0.206E-01 DAV: 4 -0.499360768159E+03 0.10209E-03 -0.19522E-03 2080 0.113E-01 0.702E-02 DAV: 5 -0.499360776224E+03 -0.80653E-05 -0.38219E-04 2240 0.562E-02 0.330E-02 DAV: 6 -0.499360788094E+03 -0.11869E-04 -0.62624E-05 2112 0.205E-02 0.183E-02 DAV: 7 -0.499360789329E+03 -0.12356E-05 -0.72812E-06 1536 0.845E-03 90 F= -.50465858E+03 E0= -.50465675E+03 d E =-.676165E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499357606910E+03 0.31812E-02 -0.38179E+00 1792 0.463E+00 0.490E-01 DAV: 2 -0.499364660475E+03 -0.70536E-02 -0.77030E-02 2080 0.619E-01 0.254E-01 DAV: 3 -0.499364281635E+03 0.37884E-03 -0.13380E-03 2176 0.102E-01 0.147E-01 DAV: 4 -0.499364217139E+03 0.64496E-04 -0.11102E-03 2144 0.878E-02 0.480E-02 DAV: 5 -0.499364217697E+03 -0.55791E-06 -0.20426E-04 2272 0.409E-02 0.230E-02 DAV: 6 -0.499364220983E+03 -0.32865E-05 -0.34784E-05 2112 0.137E-02 91 F= -.50466267E+03 E0= -.50466112E+03 d E =-.408824E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499356360798E+03 0.78569E-02 -0.51691E+00 1792 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1792 0.988E+00 0.104E+00 DAV: 2 -0.499373552277E+03 -0.32732E-01 -0.34813E-01 2176 0.132E+00 0.504E-01 DAV: 3 -0.499372031659E+03 0.15206E-02 -0.56149E-03 2176 0.217E-01 0.286E-01 DAV: 4 -0.499371853929E+03 0.17773E-03 -0.38707E-03 2112 0.164E-01 0.902E-02 DAV: 5 -0.499371883865E+03 -0.29937E-04 -0.72498E-04 2336 0.813E-02 0.357E-02 DAV: 6 -0.499371903598E+03 -0.19733E-04 -0.87300E-05 2048 0.219E-02 0.225E-02 DAV: 7 -0.499371908606E+03 -0.50075E-05 -0.11636E-05 1568 0.104E-02 94 F= -.50467243E+03 E0= -.50467184E+03 d E =-.788560E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499371930820E+03 -0.27222E-04 -0.12855E+00 1792 0.270E+00 0.248E-01 DAV: 2 -0.499374304433E+03 -0.23736E-02 -0.25654E-02 2144 0.360E-01 0.131E-01 DAV: 3 -0.499374194097E+03 0.11034E-03 -0.41519E-04 2176 0.579E-02 0.801E-02 DAV: 4 -0.499374177804E+03 0.16293E-04 -0.33386E-04 2080 0.503E-02 0.256E-02 DAV: 5 -0.499374181563E+03 -0.37590E-05 -0.68602E-05 2272 0.239E-02 95 F= -.50467496E+03 E0= -.50467447E+03 d E =-.252239E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499357948103E+03 0.16230E-01 -0.11535E+01 1792 0.808E+00 0.746E-01 DAV: 2 -0.499379124890E+03 -0.21177E-01 -0.22850E-01 2144 0.107E+00 0.393E-01 DAV: 3 -0.499378136140E+03 0.98875E-03 -0.36376E-03 2176 0.172E-01 0.241E-01 DAV: 4 -0.499377938232E+03 0.19791E-03 -0.29288E-03 2048 0.150E-01 0.770E-02 DAV: 5 -0.499377953958E+03 -0.15726E-04 -0.61479E-04 2272 0.716E-02 0.316E-02 DAV: 6 -0.499377969198E+03 -0.15240E-04 -0.75995E-05 2080 0.200E-02 0.192E-02 DAV: 7 -0.499377973694E+03 -0.44965E-05 -0.59016E-06 1408 0.869E-03 96 F= -.50467942E+03 E0= -.50467922E+03 d E =-.698292E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499374439790E+03 0.35294E-02 -0.21556E+00 1792 0.350E+00 0.321E-01 DAV: 2 -0.499378384888E+03 -0.39451E-02 -0.42828E-02 2112 0.465E-01 0.170E-01 DAV: 3 -0.499378193046E+03 0.19184E-03 -0.68597E-04 2240 0.750E-02 0.104E-01 DAV: 4 -0.499378155861E+03 0.37185E-04 -0.56189E-04 2080 0.666E-02 0.332E-02 DAV: 5 -0.499378160506E+03 -0.46441E-05 -0.11911E-04 2208 0.316E-02 0.138E-02 DAV: 6 -0.499378164863E+03 -0.43570E-05 -0.13922E-05 1440 0.913E-03 97 F= -.50467986E+03 E0= -.50467974E+03 d E =-.742221E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499379145823E+03 -0.98532E-03 -0.10531E+00 1792 0.243E+00 0.244E-01 DAV: 2 -0.499381056501E+03 -0.19107E-02 -0.21555E-02 2176 0.332E-01 0.137E-01 DAV: 3 -0.499380941875E+03 0.11463E-03 -0.42636E-04 2208 0.579E-02 0.756E-02 DAV: 4 -0.499380924215E+03 0.17660E-04 -0.23782E-04 2080 0.412E-02 0.251E-02 DAV: 5 -0.499380929338E+03 -0.51232E-05 -0.45878E-05 2208 0.197E-02 98 F= -.50468286E+03 E0= -.50468280E+03 d E =-.300402E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499375449786E+03 0.54744E-02 -0.44835E+00 1792 0.502E+00 0.501E-01 DAV: 2 -0.499383544120E+03 -0.80943E-02 -0.91352E-02 2176 0.682E-01 0.283E-01 DAV: 3 -0.499383047801E+03 0.49632E-03 -0.17848E-03 2144 0.119E-01 0.157E-01 DAV: 4 -0.499382951203E+03 0.96598E-04 -0.10278E-03 2112 0.857E-02 0.518E-02 DAV: 5 -0.499382963365E+03 -0.12162E-04 -0.20054E-04 2208 0.411E-02 0.212E-02 DAV: 6 -0.499382969389E+03 -0.60240E-05 -0.24805E-05 1920 0.128E-02 99 F= -.50468538E+03 E0= -.50468537E+03 d E =-.552435E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499384322275E+03 -0.13589E-02 -0.14510E+00 1792 0.288E+00 0.313E-01 DAV: 2 -0.499386920513E+03 -0.25982E-02 -0.29250E-02 2144 0.385E-01 0.160E-01 DAV: 3 -0.499386778517E+03 0.14200E-03 -0.56970E-04 2240 0.659E-02 0.950E-02 DAV: 4 -0.499386755030E+03 0.23487E-04 -0.49840E-04 2080 0.608E-02 0.313E-02 DAV: 5 -0.499386752962E+03 0.20679E-05 -0.10485E-04 2240 0.287E-02 0.162E-02 DAV: 6 -0.499386755227E+03 -0.22647E-05 -0.15519E-05 1664 0.101E-02 100 F= -.50468946E+03 E0= -.50468946E+03 d E =-.407911E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499371363225E+03 0.15390E-01 -0.13013E+01 1792 0.863E+00 0.936E-01 DAV: 2 -0.499394556753E+03 -0.23194E-01 -0.26098E-01 2176 0.115E+00 0.480E-01 DAV: 3 -0.499393259936E+03 0.12968E-02 -0.51156E-03 2176 0.197E-01 0.284E-01 DAV: 4 -0.499392999631E+03 0.26031E-03 -0.45676E-03 2144 0.183E-01 0.944E-02 DAV: 5 -0.499392956969E+03 0.42662E-04 -0.95339E-04 2240 0.862E-02 0.482E-02 DAV: 6 -0.499392962366E+03 -0.53970E-05 -0.15194E-04 2048 0.303E-02 0.301E-02 DAV: 7 -0.499392961290E+03 0.10759E-05 -0.87012E-06 1440 0.147E-02 101 F= -.50469658E+03 E0= -.50469658E+03 d E =-.111992E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.499390002145E+03 0.29602E-02 -0.19362E+00 1792 0.333E+00 0.362E-01 DAV: 2 -0.499393444128E+03 -0.34420E-02 -0.38986E-02 2144 0.446E-01 0.184E-01 DAV: 3 -0.499393241527E+03 0.20260E-03 -0.76625E-04 2240 0.771E-02 0.109E-01 DAV: 4 -0.499393199125E+03 0.42402E-04 -0.67462E-04 2080 0.722E-02 0.364E-02 DAV: 5 -0.499393195589E+03 0.35358E-05 -0.14499E-04 2208 0.342E-02 0.190E-02 DAV: 6 -0.499393197948E+03 -0.23588E-05 -0.23235E-05 2048 0.125E-02 102 F= -.50469718E+03 E0= -.50469718E+03 d E =-.118003E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.499392166233E+03 0.10294E-02 -0.29964E+00 1792 0.413E+00 0.480E-01 DAV: 2 -0.499397648219E+03 -0.54820E-02 -0.61029E-02 2144 0.556E-01 0.241E-01 DAV: 3 -0.499397334382E+03 0.31384E-03 -0.11839E-03 2304 0.984E-02 0.132E-01 DAV: 4 -0.499397298242E+03 0.36140E-04 -0.62907E-04 2080 0.649E-02 0.422E-02 DAV: 5 -0.499397307088E+03 -0.88456E-05 -0.10567E-04 2176 0.326E-02 0.158E-02 DAV: 6 -0.499397311273E+03 -0.41858E-05 -0.15188E-05 1664 0.102E-02 103 F= -.50470154E+03 E0= -.50470154E+03 d E =-.435997E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499394993467E+03 0.23136E-02 -0.20011E+00 1792 0.338E+00 0.393E-01 DAV: 2 -0.499398645485E+03 -0.36520E-02 -0.40743E-02 2080 0.455E-01 0.198E-01 DAV: 3 -0.499398431830E+03 0.21365E-03 -0.79068E-04 2304 0.803E-02 0.109E-01 DAV: 4 -0.499398406943E+03 0.24887E-04 -0.42595E-04 2080 0.531E-02 0.347E-02 DAV: 5 -0.499398412777E+03 -0.58341E-05 -0.71110E-05 2304 0.268E-02 104 F= -.50470285E+03 E0= -.50470285E+03 d E =-.567227E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499399478762E+03 -0.10718E-02 -0.19024E+00 1792 0.327E+00 0.404E-01 DAV: 2 -0.499402924554E+03 -0.34458E-02 -0.38035E-02 2048 0.439E-01 0.192E-01 DAV: 3 -0.499402700105E+03 0.22445E-03 -0.70613E-04 2208 0.772E-02 0.106E-01 DAV: 4 -0.499402679288E+03 0.20817E-04 -0.50301E-04 2112 0.595E-02 0.306E-02 DAV: 5 -0.499402682130E+03 -0.28425E-05 -0.91432E-05 2304 0.275E-02 105 F= -.50470735E+03 E0= -.50470735E+03 d E =-.449440E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499397835131E+03 0.48442E-02 -0.42036E+00 1792 0.486E+00 0.602E-01 DAV: 2 -0.499405418265E+03 -0.75831E-02 -0.83861E-02 2144 0.653E-01 0.285E-01 DAV: 3 -0.499404900018E+03 0.51825E-03 -0.15500E-03 2176 0.115E-01 0.158E-01 DAV: 4 -0.499404836558E+03 0.63460E-04 -0.11327E-03 2080 0.894E-02 0.455E-02 DAV: 5 -0.499404837706E+03 -0.11472E-05 -0.20717E-04 2304 0.413E-02 0.196E-02 DAV: 6 -0.499404839221E+03 -0.15157E-05 -0.25040E-05 2080 0.116E-02 106 F= -.50470985E+03 E0= -.50470985E+03 d E =-.699222E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499405925371E+03 -0.10877E-02 -0.14369E+00 1792 0.283E+00 0.323E-01 DAV: 2 -0.499408532790E+03 -0.26074E-02 -0.28212E-02 2144 0.378E-01 0.149E-01 DAV: 3 -0.499408397732E+03 0.13506E-03 -0.49383E-04 2336 0.628E-02 0.822E-02 DAV: 4 -0.499408386791E+03 0.10941E-04 -0.30393E-04 2144 0.472E-02 0.231E-02 DAV: 5 -0.499408391563E+03 -0.47720E-05 -0.48617E-05 2112 0.205E-02 107 F= -.50471373E+03 E0= -.50471373E+03 d E =-.388826E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499390396739E+03 0.17990E-01 -0.12892E+01 1792 0.849E+00 0.967E-01 DAV: 2 -0.499413731125E+03 -0.23334E-01 -0.25279E-01 2176 0.113E+00 0.448E-01 DAV: 3 -0.499412461391E+03 0.12697E-02 -0.44203E-03 2272 0.189E-01 0.246E-01 DAV: 4 -0.499412322646E+03 0.13875E-03 -0.28066E-03 2080 0.142E-01 0.693E-02 DAV: 5 -0.499412346116E+03 -0.23470E-04 -0.45461E-04 2144 0.631E-02 0.340E-02 DAV: 6 -0.499412358409E+03 -0.12292E-04 -0.77749E-05 2048 0.205E-02 0.214E-02 DAV: 7 -0.499412361007E+03 -0.25982E-05 -0.53622E-06 1408 0.877E-03 108 F= -.50471871E+03 E0= -.50471871E+03 d E =-.886142E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499412444170E+03 -0.85761E-04 -0.17168E+00 1792 0.311E+00 0.422E-01 DAV: 2 -0.499415492337E+03 -0.30482E-02 -0.34609E-02 2112 0.419E-01 0.226E-01 DAV: 3 -0.499415281573E+03 0.21076E-03 -0.74251E-04 2176 0.738E-02 0.108E-01 DAV: 4 -0.499415259888E+03 0.21685E-04 -0.45212E-04 2176 0.553E-02 0.316E-02 DAV: 5 -0.499415261001E+03 -0.11130E-05 -0.85560E-05 2272 0.252E-02 109 F= -.50472252E+03 E0= -.50472252E+03 d E =-.381379E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499413260844E+03 0.19990E-02 -0.13714E+00 1792 0.278E+00 0.368E-01 DAV: 2 -0.499415707882E+03 -0.24470E-02 -0.27654E-02 2144 0.374E-01 0.205E-01 DAV: 3 -0.499415549095E+03 0.15879E-03 -0.55996E-04 2208 0.643E-02 0.107E-01 DAV: 4 -0.499415526096E+03 0.22999E-04 -0.40733E-04 2176 0.539E-02 0.293E-02 DAV: 5 -0.499415525616E+03 0.47914E-06 -0.81643E-05 2240 0.246E-02 110 F= -.50472359E+03 E0= -.50472359E+03 d E =-.488694E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499416125550E+03 -0.59945E-03 -0.11265E+00 1792 0.249E+00 0.350E-01 DAV: 2 -0.499418103471E+03 -0.19779E-02 -0.23020E-02 2176 0.341E-01 0.193E-01 DAV: 3 -0.499417949377E+03 0.15409E-03 -0.55807E-04 2176 0.630E-02 0.949E-02 DAV: 4 -0.499417930940E+03 0.18437E-04 -0.28371E-04 2176 0.438E-02 0.318E-02 DAV: 5 -0.499417934102E+03 -0.31621E-05 -0.48674E-05 2304 0.200E-02 111 F= -.50472670E+03 E0= -.50472670E+03 d E =-.310441E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499416927108E+03 0.10038E-02 -0.78050E-01 1792 0.207E+00 0.291E-01 DAV: 2 -0.499418295168E+03 -0.13681E-02 -0.15942E-02 2112 0.284E-01 0.159E-01 DAV: 3 -0.499418184819E+03 0.11035E-03 -0.37875E-04 2176 0.523E-02 0.782E-02 DAV: 4 -0.499418168503E+03 0.16315E-04 -0.19636E-04 2144 0.367E-02 0.259E-02 DAV: 5 -0.499418169685E+03 -0.11818E-05 -0.34760E-05 2304 0.172E-02 112 F= -.50472750E+03 E0= -.50472750E+03 d E =-.390690E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499418839531E+03 -0.67103E-03 -0.15017E+00 1792 0.286E+00 0.445E-01 DAV: 2 -0.499421541400E+03 -0.27019E-02 -0.29732E-02 2080 0.382E-01 0.153E-01 DAV: 3 -0.499421370607E+03 0.17079E-03 -0.51420E-04 2176 0.648E-02 0.809E-02 DAV: 4 -0.499421352925E+03 0.17682E-04 -0.37102E-04 2112 0.507E-02 0.266E-02 DAV: 5 -0.499421353613E+03 -0.68815E-06 -0.63814E-05 2240 0.228E-02 113 F= -.50473106E+03 E0= -.50473106E+03 d E =-.356229E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499419164002E+03 0.21889E-02 -0.18856E+00 1792 0.321E+00 0.500E-01 DAV: 2 -0.499422558617E+03 -0.33946E-02 -0.37281E-02 2112 0.427E-01 0.172E-01 DAV: 3 -0.499422340003E+03 0.21861E-03 -0.63646E-04 2176 0.726E-02 0.912E-02 DAV: 4 -0.499422315273E+03 0.24730E-04 -0.46639E-04 2112 0.568E-02 0.299E-02 DAV: 5 -0.499422315024E+03 0.24844E-06 -0.80927E-05 2176 0.258E-02 114 F= -.50473242E+03 E0= -.50473242E+03 d E =-.492333E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499422350223E+03 -0.34951E-04 -0.17304E+00 1792 0.309E+00 0.449E-01 DAV: 2 -0.499425479294E+03 -0.31291E-02 -0.35256E-02 2080 0.422E-01 0.222E-01 DAV: 3 -0.499425256551E+03 0.22274E-03 -0.70737E-04 2176 0.753E-02 0.114E-01 DAV: 4 -0.499425243046E+03 0.13505E-04 -0.42865E-04 2144 0.545E-02 0.316E-02 DAV: 5 -0.499425242376E+03 0.67010E-06 -0.72265E-05 2112 0.251E-02 115 F= -.50473545E+03 E0= -.50473545E+03 d E =-.302143E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499425076570E+03 0.16648E-03 -0.19674E-01 1856 0.104E+00 0.153E-01 DAV: 2 -0.499425440809E+03 -0.36424E-03 -0.40676E-03 2112 0.143E-01 0.750E-02 DAV: 3 -0.499425417505E+03 0.23305E-04 -0.77843E-05 2080 0.253E-02 0.394E-02 DAV: 4 -0.499425417259E+03 0.24620E-06 -0.49356E-05 2176 0.189E-02 116 F= -.50473565E+03 E0= -.50473565E+03 d E =-.322184E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499426122764E+03 -0.70526E-03 -0.45250E-01 1792 0.158E+00 0.254E-01 DAV: 2 -0.499426992767E+03 -0.87000E-03 -0.97134E-03 2176 0.220E-01 0.998E-02 DAV: 3 -0.499426929689E+03 0.63078E-04 -0.17682E-04 2176 0.397E-02 0.493E-02 DAV: 4 -0.499426921671E+03 0.80183E-05 -0.10394E-04 2176 0.275E-02 0.175E-02 DAV: 5 -0.499426920739E+03 0.93220E-06 -0.17700E-05 1632 0.142E-02 117 F= -.50473737E+03 E0= -.50473737E+03 d E =-.172416E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499426846558E+03 0.75113E-04 -0.29586E-01 1792 0.128E+00 0.206E-01 DAV: 2 -0.499427413720E+03 -0.56716E-03 -0.63250E-03 2176 0.178E-01 0.809E-02 DAV: 3 -0.499427371189E+03 0.42531E-04 -0.11285E-04 2176 0.317E-02 0.403E-02 DAV: 4 -0.499427364314E+03 0.68748E-05 -0.66541E-05 2176 0.224E-02 118 F= -.50473798E+03 E0= -.50473798E+03 d E =-.233869E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499428434065E+03 -0.10629E-02 -0.62567E-01 1792 0.185E+00 0.259E-01 DAV: 2 -0.499429516959E+03 -0.10829E-02 -0.12600E-02 2176 0.254E-01 0.122E-01 DAV: 3 -0.499429440409E+03 0.76550E-04 -0.25186E-04 2176 0.431E-02 0.827E-02 DAV: 4 -0.499429422308E+03 0.18101E-04 -0.19836E-04 2144 0.394E-02 0.223E-02 DAV: 5 -0.499429423657E+03 -0.13489E-05 -0.35780E-05 2176 0.190E-02 119 F= -.50474032E+03 E0= -.50474032E+03 d E =-.233476E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499429414066E+03 0.82417E-05 -0.41747E-01 1792 0.151E+00 0.213E-01 DAV: 2 -0.499430140653E+03 -0.72659E-03 -0.84236E-03 2176 0.207E-01 0.997E-02 DAV: 3 -0.499430087678E+03 0.52975E-04 -0.16208E-04 2176 0.349E-02 0.674E-02 DAV: 4 -0.499430072969E+03 0.14710E-04 -0.13289E-04 2144 0.329E-02 0.171E-02 DAV: 5 -0.499430072756E+03 0.21278E-06 -0.25031E-05 2048 0.158E-02 120 F= -.50474118E+03 E0= -.50474118E+03 d E =-.319770E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499429949311E+03 0.12366E-03 -0.74882E-02 1984 0.642E-01 0.911E-02 DAV: 2 -0.499430080969E+03 -0.13166E-03 -0.15192E-03 2048 0.877E-02 0.422E-02 DAV: 3 -0.499430071246E+03 0.97230E-05 -0.27760E-05 2112 0.149E-02 121 F= -.50474127E+03 E0= -.50474127E+03 d E =-.328370E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499430586819E+03 -0.50585E-03 -0.41815E-01 1792 0.151E+00 0.198E-01 DAV: 2 -0.499431310186E+03 -0.72337E-03 -0.83725E-03 2080 0.207E-01 0.105E-01 DAV: 3 -0.499431261765E+03 0.48421E-04 -0.15962E-04 2208 0.345E-02 0.649E-02 DAV: 4 -0.499431251486E+03 0.10279E-04 -0.11333E-04 2080 0.292E-02 0.185E-02 DAV: 5 -0.499431252279E+03 -0.79336E-06 -0.19590E-05 1856 0.142E-02 122 F= -.50474263E+03 E0= -.50474263E+03 d E =-.135831E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499430223475E+03 0.10280E-02 -0.94875E-01 1792 0.227E+00 0.296E-01 DAV: 2 -0.499431930829E+03 -0.17074E-02 -0.19421E-02 2144 0.313E-01 0.156E-01 DAV: 3 -0.499431812793E+03 0.11804E-03 -0.33863E-04 2144 0.514E-02 0.953E-02 DAV: 4 -0.499431786113E+03 0.26680E-04 -0.25878E-04 2112 0.434E-02 0.268E-02 DAV: 5 -0.499431788059E+03 -0.19457E-05 -0.45235E-05 2080 0.208E-02 123 F= -.50474341E+03 E0= -.50474341E+03 d E =-.214217E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499432723844E+03 -0.93773E-03 -0.31106E-01 1792 0.130E+00 0.163E-01 DAV: 2 -0.499433315884E+03 -0.59204E-03 -0.65113E-03 2048 0.179E-01 0.764E-02 DAV: 3 -0.499433279574E+03 0.36310E-04 -0.99272E-05 2144 0.298E-02 0.423E-02 DAV: 4 -0.499433273850E+03 0.57233E-05 -0.73632E-05 2048 0.233E-02 124 F= -.50474479E+03 E0= -.50474479E+03 d E =-.137787E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499433692567E+03 -0.41299E-03 -0.17069E-01 1792 0.963E-01 0.123E-01 DAV: 2 -0.499434015205E+03 -0.32264E-03 -0.35722E-03 2048 0.133E-01 0.586E-02 DAV: 3 -0.499433994580E+03 0.20625E-04 -0.56707E-05 2176 0.230E-02 0.321E-02 DAV: 4 -0.499433991690E+03 0.28896E-05 -0.43814E-05 2048 0.180E-02 125 F= -.50474542E+03 E0= -.50474542E+03 d E =-.201119E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499433271457E+03 0.72312E-03 -0.68125E-01 1792 0.192E+00 0.242E-01 DAV: 2 -0.499434552737E+03 -0.12813E-02 -0.14203E-02 2080 0.265E-01 0.115E-01 DAV: 3 -0.499434467252E+03 0.85486E-04 -0.22334E-04 2176 0.449E-02 0.634E-02 DAV: 4 -0.499434452874E+03 0.14377E-04 -0.17094E-04 2080 0.355E-02 0.174E-02 DAV: 5 -0.499434453234E+03 -0.35953E-06 -0.29356E-05 2016 0.166E-02 126 F= -.50474570E+03 E0= -.50474570E+03 d E =-.229170E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499435169976E+03 -0.71710E-03 -0.15483E-01 1792 0.912E-01 0.901E-02 DAV: 2 -0.499435453919E+03 -0.28394E-03 -0.30534E-03 2080 0.122E-01 0.460E-02 DAV: 3 -0.499435438520E+03 0.15399E-04 -0.40707E-05 2176 0.198E-02 0.275E-02 DAV: 4 -0.499435436836E+03 0.16838E-05 -0.42238E-05 2016 0.184E-02 127 F= -.50474652E+03 E0= -.50474652E+03 d E =-.822210E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499435172291E+03 0.26623E-03 -0.13954E+00 1792 0.274E+00 0.269E-01 DAV: 2 -0.499437696031E+03 -0.25237E-02 -0.27424E-02 2112 0.365E-01 0.139E-01 DAV: 3 -0.499437541862E+03 0.15417E-03 -0.37666E-04 2176 0.601E-02 0.831E-02 DAV: 4 -0.499437512000E+03 0.29862E-04 -0.40063E-04 2080 0.568E-02 0.235E-02 DAV: 5 -0.499437509877E+03 0.21230E-05 -0.84969E-05 2240 0.266E-02 128 F= -.50474809E+03 E0= -.50474809E+03 d E =-.239089E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499428342371E+03 0.91696E-02 -0.55722E+00 1792 0.547E+00 0.539E-01 DAV: 2 -0.499438483529E+03 -0.10141E-01 -0.10985E-01 2112 0.730E-01 0.276E-01 DAV: 3 -0.499437866110E+03 0.61742E-03 -0.14903E-03 2240 0.119E-01 0.163E-01 DAV: 4 -0.499437736137E+03 0.12997E-03 -0.15469E-03 2112 0.112E-01 0.457E-02 DAV: 5 -0.499437730065E+03 0.60721E-05 -0.32613E-04 2272 0.518E-02 0.254E-02 DAV: 6 -0.499437730081E+03 -0.16626E-07 -0.49838E-05 2112 0.163E-02 129 F= -.50474722E+03 E0= -.50474722E+03 d E =-.151277E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499434076519E+03 0.36535E-02 -0.24631E+00 1792 0.364E+00 0.349E-01 DAV: 2 -0.499438498970E+03 -0.44225E-02 -0.48122E-02 2112 0.484E-01 0.185E-01 DAV: 3 -0.499438220520E+03 0.27845E-03 -0.65931E-04 2176 0.785E-02 0.112E-01 DAV: 4 -0.499438164637E+03 0.55883E-04 -0.70110E-04 2112 0.743E-02 0.308E-02 DAV: 5 -0.499438166124E+03 -0.14874E-05 -0.14444E-04 2304 0.343E-02 0.167E-02 DAV: 6 -0.499438168479E+03 -0.23549E-05 -0.21868E-05 1952 0.108E-02 130 F= -.50474840E+03 E0= -.50474840E+03 d E =-.269481E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499439198353E+03 -0.10322E-02 -0.59979E-02 1856 0.580E-01 0.109E-01 DAV: 2 -0.499439317957E+03 -0.11960E-03 -0.14878E-03 2144 0.870E-02 0.551E-02 DAV: 3 -0.499439301470E+03 0.16487E-04 -0.46523E-05 2176 0.199E-02 0.215E-02 DAV: 4 -0.499439300146E+03 0.13243E-05 -0.15413E-05 1856 0.111E-02 131 F= -.50474943E+03 E0= -.50474943E+03 d E =-.103043E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499439762895E+03 -0.46142E-03 -0.10075E-01 2048 0.752E-01 0.143E-01 DAV: 2 -0.499439964290E+03 -0.20140E-03 -0.25147E-03 2112 0.113E-01 0.715E-02 DAV: 3 -0.499439935982E+03 0.28309E-04 -0.79144E-05 2176 0.260E-02 0.273E-02 DAV: 4 -0.499439931843E+03 0.41388E-05 -0.24768E-05 1984 0.149E-02 132 F= -.50474993E+03 E0= -.50474993E+03 d E =-.152964E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499440554374E+03 -0.61839E-03 -0.28877E-02 2048 0.407E-01 0.838E-02 DAV: 2 -0.499440608979E+03 -0.54605E-04 -0.66861E-04 2080 0.594E-02 0.340E-02 DAV: 3 -0.499440602364E+03 0.66155E-05 -0.20303E-05 1856 0.128E-02 133 F= -.50475053E+03 E0= -.50475053E+03 d E =-.598731E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499441110386E+03 -0.50141E-03 -0.23370E-01 1792 0.116E+00 0.238E-01 DAV: 2 -0.499441543774E+03 -0.43339E-03 -0.52909E-03 2112 0.167E-01 0.992E-02 DAV: 3 -0.499441491881E+03 0.51893E-04 -0.16950E-04 2176 0.360E-02 0.418E-02 DAV: 4 -0.499441485104E+03 0.67775E-05 -0.54306E-05 2080 0.208E-02 134 F= -.50475120E+03 E0= -.50475120E+03 d E =-.127392E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499441911336E+03 -0.41945E-03 -0.95262E-03 2048 0.231E-01 0.357E-02 DAV: 2 -0.499441927784E+03 -0.16448E-04 -0.19793E-04 2080 0.322E-02 0.159E-02 DAV: 3 -0.499441926519E+03 0.12651E-05 -0.44928E-06 1504 0.629E-03 135 F= -.50475157E+03 E0= -.50475157E+03 d E =-.366898E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499442931229E+03 -0.10034E-02 -0.84758E-02 1984 0.688E-01 0.107E-01 DAV: 2 -0.499443069212E+03 -0.13798E-03 -0.16710E-03 2176 0.936E-02 0.481E-02 DAV: 3 -0.499443055826E+03 0.13386E-04 -0.40555E-05 2176 0.176E-02 0.233E-02 DAV: 4 -0.499443052935E+03 0.28907E-05 -0.21125E-05 1888 0.134E-02 136 F= -.50475247E+03 E0= -.50475247E+03 d E =-.126822E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499443935771E+03 -0.87994E-03 -0.34121E-01 1792 0.138E+00 0.214E-01 DAV: 2 -0.499444507837E+03 -0.57207E-03 -0.68357E-03 2176 0.189E-01 0.959E-02 DAV: 3 -0.499444450966E+03 0.56872E-04 -0.15787E-04 2176 0.354E-02 0.464E-02 DAV: 4 -0.499444438026E+03 0.12940E-04 -0.90189E-05 2176 0.273E-02 0.130E-02 DAV: 5 -0.499444436449E+03 0.15767E-05 -0.15345E-05 1632 0.133E-02 137 F= -.50475340E+03 E0= -.50475340E+03 d E =-.219448E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499445691607E+03 -0.12536E-02 -0.53552E-02 1920 0.554E-01 0.880E-02 DAV: 2 -0.499445795158E+03 -0.10355E-03 -0.11836E-03 2176 0.787E-02 0.443E-02 DAV: 3 -0.499445787482E+03 0.76756E-05 -0.28505E-05 2176 0.158E-02 138 F= -.50475450E+03 E0= -.50475450E+03 d E =-.110404E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499447316740E+03 -0.15216E-02 -0.47907E-01 1792 0.166E+00 0.269E-01 DAV: 2 -0.499448176831E+03 -0.86009E-03 -0.10325E-02 2240 0.235E-01 0.138E-01 DAV: 3 -0.499448093260E+03 0.83571E-04 -0.26897E-04 2144 0.476E-02 0.698E-02 DAV: 4 -0.499448080587E+03 0.12673E-04 -0.15424E-04 2240 0.330E-02 0.189E-02 DAV: 5 -0.499448080354E+03 0.23315E-06 -0.24062E-05 2048 0.158E-02 139 F= -.50475605E+03 E0= -.50475605E+03 d E =-.265084E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499449034963E+03 -0.95438E-03 -0.10286E-01 2048 0.762E-01 0.123E-01 DAV: 2 -0.499449223649E+03 -0.18869E-03 -0.21399E-03 2048 0.106E-01 0.589E-02 DAV: 3 -0.499449209780E+03 0.13869E-04 -0.44256E-05 2144 0.197E-02 0.306E-02 DAV: 4 -0.499449207673E+03 0.21074E-05 -0.30184E-05 1920 0.158E-02 140 F= -.50475702E+03 E0= -.50475702E+03 d E =-.972672E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499449736760E+03 -0.52698E-03 -0.35955E-01 1792 0.142E+00 0.232E-01 DAV: 2 -0.499450383402E+03 -0.64664E-03 -0.74360E-03 2048 0.198E-01 0.111E-01 DAV: 3 -0.499450333081E+03 0.50321E-04 -0.15973E-04 2208 0.372E-02 0.569E-02 DAV: 4 -0.499450325148E+03 0.79329E-05 -0.10831E-04 2048 0.293E-02 0.139E-02 DAV: 5 -0.499450324263E+03 0.88480E-06 -0.16511E-05 1600 0.126E-02 141 F= -.50475784E+03 E0= -.50475784E+03 d E =-.179657E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499451272591E+03 -0.94744E-03 -0.15517E-01 1792 0.918E-01 0.126E-01 DAV: 2 -0.499451528210E+03 -0.25562E-03 -0.29169E-03 2240 0.121E-01 0.542E-02 DAV: 3 -0.499451508837E+03 0.19373E-04 -0.60729E-05 2176 0.219E-02 0.300E-02 DAV: 4 -0.499451506173E+03 0.26638E-05 -0.39375E-05 2112 0.166E-02 142 F= -.50475902E+03 E0= -.50475902E+03 d E =-.117905E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499451582010E+03 -0.73173E-04 -0.87666E-01 1792 0.218E+00 0.300E-01 DAV: 2 -0.499452997999E+03 -0.14160E-02 -0.16351E-02 2240 0.288E-01 0.130E-01 DAV: 3 -0.499452889785E+03 0.10821E-03 -0.36019E-04 2144 0.522E-02 0.716E-02 DAV: 4 -0.499452876708E+03 0.13076E-04 -0.22004E-04 2144 0.385E-02 0.206E-02 DAV: 5 -0.499452878098E+03 -0.13895E-05 -0.32416E-05 2144 0.176E-02 143 F= -.50476038E+03 E0= -.50476038E+03 d E =-.253409E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499453856254E+03 -0.97955E-03 -0.17654E-01 1792 0.998E-01 0.133E-01 DAV: 2 -0.499454167676E+03 -0.31142E-03 -0.34559E-03 2144 0.134E-01 0.696E-02 DAV: 3 -0.499454145813E+03 0.21862E-04 -0.74798E-05 2144 0.254E-02 0.362E-02 DAV: 4 -0.499454145922E+03 -0.10927E-06 -0.45560E-05 2176 0.176E-02 144 F= -.50476160E+03 E0= -.50476160E+03 d E =-.122179E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499454404394E+03 -0.25858E-03 -0.33864E-01 1792 0.138E+00 0.183E-01 DAV: 2 -0.499454994750E+03 -0.59036E-03 -0.66265E-03 2144 0.186E-01 0.967E-02 DAV: 3 -0.499454950693E+03 0.44057E-04 -0.14651E-04 2176 0.353E-02 0.500E-02 DAV: 4 -0.499454948872E+03 0.18213E-05 -0.88705E-05 2176 0.241E-02 145 F= -.50476233E+03 E0= -.50476233E+03 d E =-.195419E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499455683132E+03 -0.73244E-03 -0.11855E-01 1856 0.820E-01 0.127E-01 DAV: 2 -0.499455904133E+03 -0.22100E-03 -0.23734E-03 2208 0.109E-01 0.544E-02 DAV: 3 -0.499455889898E+03 0.14236E-04 -0.45516E-05 2176 0.206E-02 0.287E-02 DAV: 4 -0.499455891157E+03 -0.12594E-05 -0.31571E-05 1984 0.145E-02 146 F= -.50476317E+03 E0= -.50476317E+03 d E =-.841557E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499456251764E+03 -0.36187E-03 -0.62714E-02 1920 0.597E-01 0.936E-02 DAV: 2 -0.499456368234E+03 -0.11647E-03 -0.12521E-03 2304 0.792E-02 0.412E-02 DAV: 3 -0.499456360351E+03 0.78837E-05 -0.23327E-05 1856 0.150E-02 147 F= -.50476357E+03 E0= -.50476357E+03 d E =-.123585E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499456349462E+03 0.18773E-04 -0.24777E-01 1856 0.119E+00 0.185E-01 DAV: 2 -0.499456788292E+03 -0.43883E-03 -0.47841E-03 2272 0.155E-01 0.814E-02 DAV: 3 -0.499456756793E+03 0.31499E-04 -0.85829E-05 2176 0.278E-02 0.429E-02 DAV: 4 -0.499456755637E+03 0.11557E-05 -0.69103E-05 2240 0.214E-02 148 F= -.50476381E+03 E0= -.50476381E+03 d E =-.147712E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499457109289E+03 -0.35250E-03 -0.51701E-02 1920 0.536E-01 0.581E-02 DAV: 2 -0.499457200714E+03 -0.91425E-04 -0.97459E-04 2112 0.705E-02 0.310E-02 DAV: 3 -0.499457196092E+03 0.46219E-05 -0.15786E-05 1664 0.121E-02 149 F= -.50476424E+03 E0= -.50476424E+03 d E =-.433558E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499457479178E+03 -0.27846E-03 -0.45986E-01 1856 0.160E+00 0.171E-01 DAV: 2 -0.499458244142E+03 -0.76496E-03 -0.83092E-03 2112 0.207E-01 0.907E-02 DAV: 3 -0.499458200245E+03 0.43897E-04 -0.13688E-04 2208 0.335E-02 0.487E-02 DAV: 4 -0.499458197449E+03 0.27965E-05 -0.11316E-04 2144 0.279E-02 0.123E-02 DAV: 5 -0.499458197999E+03 -0.54997E-06 -0.18431E-05 2048 0.119E-02 150 F= -.50476522E+03 E0= -.50476522E+03 d E =-.140934E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499455830507E+03 0.23669E-02 -0.18502E+00 1856 0.321E+00 0.340E-01 DAV: 2 -0.499458976737E+03 -0.31462E-02 -0.33962E-02 2144 0.417E-01 0.180E-01 DAV: 3 -0.499458787091E+03 0.18965E-03 -0.53571E-04 2208 0.668E-02 0.971E-02 DAV: 4 -0.499458769564E+03 0.17527E-04 -0.46692E-04 2144 0.561E-02 0.247E-02 DAV: 5 -0.499458771843E+03 -0.22791E-05 -0.78132E-05 2304 0.240E-02 151 F= -.50476571E+03 E0= -.50476571E+03 d E =-.190658E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499459191736E+03 -0.42217E-03 -0.39527E-01 1856 0.148E+00 0.154E-01 DAV: 2 -0.499459879214E+03 -0.68748E-03 -0.75087E-03 2112 0.195E-01 0.782E-02 DAV: 3 -0.499459836422E+03 0.42792E-04 -0.12811E-04 2208 0.327E-02 0.443E-02 DAV: 4 -0.499459831953E+03 0.44692E-05 -0.10375E-04 2144 0.279E-02 0.109E-02 DAV: 5 -0.499459833270E+03 -0.13166E-05 -0.19988E-05 2048 0.119E-02 152 F= -.50476694E+03 E0= -.50476694E+03 d E =-.122246E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499459345982E+03 0.48597E-03 -0.49960E-01 1856 0.166E+00 0.173E-01 DAV: 2 -0.499460204224E+03 -0.85824E-03 -0.94391E-03 2112 0.219E-01 0.889E-02 DAV: 3 -0.499460144710E+03 0.59514E-04 -0.16515E-04 2208 0.373E-02 0.502E-02 DAV: 4 -0.499460136312E+03 0.83982E-05 -0.13272E-04 2112 0.313E-02 0.122E-02 DAV: 5 -0.499460137520E+03 -0.12088E-05 -0.25370E-05 2048 0.134E-02 153 F= -.50476742E+03 E0= -.50476742E+03 d E =-.170191E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499460582929E+03 -0.44662E-03 -0.55749E-02 1856 0.571E-01 0.788E-02 DAV: 2 -0.499460677135E+03 -0.94206E-04 -0.11986E-03 2048 0.812E-02 0.440E-02 DAV: 3 -0.499460667916E+03 0.92198E-05 -0.39927E-05 2176 0.174E-02 154 F= -.50476808E+03 E0= -.50476808E+03 d E =-.661331E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499460670704E+03 0.64310E-05 -0.13001E-01 1856 0.871E-01 0.124E-01 DAV: 2 -0.499460871854E+03 -0.20115E-03 -0.26839E-03 2080 0.123E-01 0.698E-02 DAV: 3 -0.499460850450E+03 0.21405E-04 -0.99050E-05 2144 0.270E-02 0.382E-02 DAV: 4 -0.499460847994E+03 0.24554E-05 -0.44123E-05 2112 0.177E-02 155 F= -.50476846E+03 E0= -.50476846E+03 d E =-.104178E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499461251598E+03 -0.40115E-03 -0.83758E-02 1856 0.685E-01 0.106E-01 DAV: 2 -0.499461390952E+03 -0.13935E-03 -0.17395E-03 2048 0.955E-02 0.410E-02 DAV: 3 -0.499461379168E+03 0.11784E-04 -0.47692E-05 2176 0.190E-02 0.233E-02 DAV: 4 -0.499461378184E+03 0.98434E-06 -0.26377E-05 2016 0.132E-02 156 F= -.50476908E+03 E0= -.50476908E+03 d E =-.626697E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499461307493E+03 0.71675E-04 -0.25146E-01 1792 0.119E+00 0.181E-01 DAV: 2 -0.499461720149E+03 -0.41266E-03 -0.51719E-03 2144 0.165E-01 0.702E-02 DAV: 3 -0.499461683675E+03 0.36473E-04 -0.14326E-04 2112 0.326E-02 0.399E-02 DAV: 4 -0.499461679099E+03 0.45764E-05 -0.77287E-05 2048 0.226E-02 157 F= -.50476955E+03 E0= -.50476955E+03 d E =-.109261E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499462038698E+03 -0.35502E-03 -0.88613E-02 1792 0.714E-01 0.130E-01 DAV: 2 -0.499462214023E+03 -0.17533E-03 -0.20486E-03 2176 0.103E-01 0.567E-02 DAV: 3 -0.499462198680E+03 0.15343E-04 -0.52120E-05 2112 0.201E-02 0.269E-02 DAV: 4 -0.499462197297E+03 0.13827E-05 -0.25713E-05 1984 0.132E-02 158 F= -.50477011E+03 E0= -.50477011E+03 d E =-.557967E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499462193289E+03 0.53907E-05 -0.89184E-02 1920 0.716E-01 0.131E-01 DAV: 2 -0.499462367562E+03 -0.17427E-03 -0.20469E-03 2112 0.103E-01 0.577E-02 DAV: 3 -0.499462351686E+03 0.15876E-04 -0.50999E-05 2176 0.198E-02 0.271E-02 DAV: 4 -0.499462349139E+03 0.25468E-05 -0.25266E-05 2016 0.135E-02 159 F= -.50477030E+03 E0= -.50477030E+03 d E =-.748714E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499462608457E+03 -0.25677E-03 -0.12044E-01 1792 0.825E-01 0.107E-01 DAV: 2 -0.499462833674E+03 -0.22522E-03 -0.25051E-03 2112 0.113E-01 0.482E-02 DAV: 3 -0.499462818698E+03 0.14976E-04 -0.47295E-05 2176 0.193E-02 0.253E-02 DAV: 4 -0.499462816299E+03 0.23991E-05 -0.32516E-05 2016 0.155E-02 160 F= -.50477086E+03 E0= -.50477086E+03 d E =-.555806E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499462665743E+03 0.15295E-03 -0.20140E-01 1792 0.107E+00 0.140E-01 DAV: 2 -0.499463042265E+03 -0.37652E-03 -0.42050E-03 2112 0.146E-01 0.634E-02 DAV: 3 -0.499463016031E+03 0.26235E-04 -0.80456E-05 2144 0.253E-02 0.331E-02 DAV: 4 -0.499463011614E+03 0.44172E-05 -0.55891E-05 2112 0.203E-02 161 F= -.50477116E+03 E0= -.50477116E+03 d E =-.864054E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499463256253E+03 -0.24022E-03 -0.14038E-01 1792 0.875E-01 0.105E-01 DAV: 2 -0.499463509807E+03 -0.25355E-03 -0.28128E-03 2112 0.118E-01 0.443E-02 DAV: 3 -0.499463494116E+03 0.15690E-04 -0.49120E-05 2176 0.208E-02 0.251E-02 DAV: 4 -0.499463492003E+03 0.21132E-05 -0.33827E-05 2112 0.157E-02 162 F= -.50477184E+03 E0= -.50477184E+03 d E =-.681302E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499463545595E+03 -0.51478E-04 -0.56844E-02 1792 0.557E-01 0.691E-02 DAV: 2 -0.499463648078E+03 -0.10248E-03 -0.11345E-03 2112 0.748E-02 0.292E-02 DAV: 3 -0.499463641385E+03 0.66926E-05 -0.20148E-05 1920 0.137E-02 163 F= -.50477212E+03 E0= -.50477212E+03 d E =-.957986E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499463207328E+03 0.44075E-03 -0.22497E-01 1792 0.111E+00 0.135E-01 DAV: 2 -0.499463597465E+03 -0.39014E-03 -0.43580E-03 2112 0.147E-01 0.572E-02 DAV: 3 -0.499463572718E+03 0.24747E-04 -0.77241E-05 2176 0.255E-02 0.321E-02 DAV: 4 -0.499463568350E+03 0.43684E-05 -0.50958E-05 2144 0.196E-02 164 F= -.50477230E+03 E0= -.50477230E+03 d E =-.113841E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499463372114E+03 0.20060E-03 -0.18138E-01 1792 0.100E+00 0.116E-01 DAV: 2 -0.499463707883E+03 -0.33577E-03 -0.37033E-03 2080 0.136E-01 0.571E-02 DAV: 3 -0.499463688016E+03 0.19867E-04 -0.64501E-05 2144 0.232E-02 0.328E-02 DAV: 4 -0.499463686088E+03 0.19281E-05 -0.49238E-05 2112 0.182E-02 165 F= -.50477275E+03 E0= -.50477275E+03 d E =-.449623E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499463636501E+03 0.51514E-04 -0.13031E-02 1856 0.268E-01 0.333E-02 DAV: 2 -0.499463661457E+03 -0.24956E-04 -0.27476E-04 1952 0.371E-02 0.168E-02 DAV: 3 -0.499463660170E+03 0.12877E-05 -0.49366E-06 1408 0.706E-03 166 F= -.50477281E+03 E0= -.50477281E+03 d E =-.512032E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499463448935E+03 0.21252E-03 -0.51117E-02 1792 0.532E-01 0.617E-02 DAV: 2 -0.499463539808E+03 -0.90873E-04 -0.10160E-03 2048 0.718E-02 0.302E-02 DAV: 3 -0.499463534987E+03 0.48214E-05 -0.17517E-05 1824 0.119E-02 167 F= -.50477287E+03 E0= -.50477287E+03 d E =-.563206E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499463705448E+03 -0.16564E-03 -0.81381E-02 1792 0.680E-01 0.880E-02 DAV: 2 -0.499463852366E+03 -0.14692E-03 -0.16807E-03 2048 0.936E-02 0.408E-02 DAV: 3 -0.499463843033E+03 0.93329E-05 -0.32308E-05 2016 0.160E-02 168 F= -.50477335E+03 E0= -.50477335E+03 d E =-.482867E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499463287349E+03 0.56502E-03 -0.34605E-01 1792 0.140E+00 0.180E-01 DAV: 2 -0.499463914443E+03 -0.62709E-03 -0.71486E-03 2144 0.193E-01 0.832E-02 DAV: 3 -0.499463871941E+03 0.42501E-04 -0.13897E-04 2144 0.333E-02 0.455E-02 DAV: 4 -0.499463867236E+03 0.47056E-05 -0.10544E-04 2080 0.282E-02 0.139E-02 DAV: 5 -0.499463867346E+03 -0.11065E-06 -0.17821E-05 1728 0.124E-02 169 F= -.50477373E+03 E0= -.50477373E+03 d E =-.865034E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499464029736E+03 -0.16250E-03 -0.33878E-02 1920 0.439E-01 0.535E-02 DAV: 2 -0.499464092775E+03 -0.63039E-04 -0.70568E-04 2176 0.601E-02 0.260E-02 DAV: 3 -0.499464089274E+03 0.35007E-05 -0.13030E-05 1792 0.105E-02 170 F= -.50477405E+03 E0= -.50477405E+03 d E =-.324123E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499463907200E+03 0.18557E-03 -0.30282E-01 1792 0.131E+00 0.160E-01 DAV: 2 -0.499464433639E+03 -0.52644E-03 -0.60804E-03 2080 0.178E-01 0.789E-02 DAV: 3 -0.499464404288E+03 0.29351E-04 -0.13188E-04 2208 0.312E-02 0.468E-02 DAV: 4 -0.499464399215E+03 0.50733E-05 -0.96924E-05 2176 0.257E-02 171 F= -.50477467E+03 E0= -.50477467E+03 d E =-.937973E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499464317252E+03 0.87036E-04 -0.36993E-02 2048 0.458E-01 0.586E-02 DAV: 2 -0.499464385744E+03 -0.68492E-04 -0.79197E-04 2176 0.639E-02 0.297E-02 DAV: 3 -0.499464381539E+03 0.42050E-05 -0.17797E-05 1696 0.122E-02 172 F= -.50477476E+03 E0= -.50477476E+03 d E =-.102492E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499463919884E+03 0.46586E-03 -0.14574E-01 1792 0.910E-01 0.112E-01 DAV: 2 -0.499464169815E+03 -0.24993E-03 -0.29073E-03 2080 0.124E-01 0.557E-02 DAV: 3 -0.499464156483E+03 0.13332E-04 -0.65114E-05 2080 0.218E-02 0.330E-02 DAV: 4 -0.499464154568E+03 0.19156E-05 -0.47885E-05 2144 0.181E-02 173 F= -.50477474E+03 E0= -.50477474E+03 d E =-.100575E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499464234535E+03 -0.78052E-04 -0.58271E-02 1792 0.576E-01 0.669E-02 DAV: 2 -0.499464336838E+03 -0.10230E-03 -0.11610E-03 2048 0.777E-02 0.328E-02 DAV: 3 -0.499464330540E+03 0.62982E-05 -0.22573E-05 1728 0.130E-02 174 F= -.50477478E+03 E0= -.50477478E+03 d E =-.105081E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499464421176E+03 -0.84338E-04 -0.10491E-01 1792 0.770E-01 0.126E-01 DAV: 2 -0.499464631919E+03 -0.21074E-03 -0.23720E-03 2112 0.109E-01 0.540E-02 DAV: 3 -0.499464614669E+03 0.17250E-04 -0.55275E-05 2176 0.218E-02 0.241E-02 DAV: 4 -0.499464612529E+03 0.21403E-05 -0.24592E-05 1920 0.127E-02 175 F= -.50477530E+03 E0= -.50477530E+03 d E =-.523682E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499464429376E+03 0.18529E-03 -0.86634E-02 1856 0.700E-01 0.117E-01 DAV: 2 -0.499464597983E+03 -0.16861E-03 -0.19241E-03 2144 0.988E-02 0.499E-02 DAV: 3 -0.499464585032E+03 0.12951E-04 -0.48815E-05 2144 0.204E-02 0.224E-02 DAV: 4 -0.499464583539E+03 0.14927E-05 -0.20330E-05 1888 0.117E-02 176 F= -.50477550E+03 E0= -.50477550E+03 d E =-.714149E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499464706841E+03 -0.12181E-03 -0.51847E-02 2048 0.543E-01 0.718E-02 DAV: 2 -0.499464809950E+03 -0.10311E-03 -0.11596E-03 2240 0.769E-02 0.354E-02 DAV: 3 -0.499464802197E+03 0.77525E-05 -0.26313E-05 1952 0.146E-02 177 F= -.50477590E+03 E0= -.50477590E+03 d E =-.403136E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499464093651E+03 0.71630E-03 -0.33294E-01 1792 0.138E+00 0.186E-01 DAV: 2 -0.499464728824E+03 -0.63517E-03 -0.72380E-03 2208 0.193E-01 0.916E-02 DAV: 3 -0.499464678862E+03 0.49962E-04 -0.16214E-04 2240 0.361E-02 0.467E-02 DAV: 4 -0.499464673054E+03 0.58083E-05 -0.84196E-05 2144 0.236E-02 178 F= -.50477624E+03 E0= -.50477624E+03 d E =-.741882E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499464761798E+03 -0.82936E-04 -0.18197E-02 1984 0.323E-01 0.402E-02 DAV: 2 -0.499464795624E+03 -0.33825E-04 -0.39780E-04 2080 0.454E-02 0.207E-02 DAV: 3 -0.499464792407E+03 0.32165E-05 -0.66357E-06 1504 0.778E-03 179 F= -.50477625E+03 E0= -.50477625E+03 d E =-.752082E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499464901766E+03 -0.10614E-03 -0.53095E-02 1792 0.550E-01 0.571E-02 DAV: 2 -0.499465003850E+03 -0.10208E-03 -0.11261E-03 2144 0.751E-02 0.289E-02 DAV: 3 -0.499464996923E+03 0.69264E-05 -0.20498E-05 1792 0.129E-02 180 F= -.50477663E+03 E0= -.50477663E+03 d E =-.384475E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499464349300E+03 0.65455E-03 -0.47087E-01 1792 0.164E+00 0.176E-01 DAV: 2 -0.499465210565E+03 -0.86126E-03 -0.96471E-03 2272 0.220E-01 0.878E-02 DAV: 3 -0.499465154127E+03 0.56437E-04 -0.18681E-04 2272 0.377E-02 0.510E-02 DAV: 4 -0.499465147394E+03 0.67332E-05 -0.13653E-04 2048 0.300E-02 0.159E-02 DAV: 5 -0.499465148014E+03 -0.61966E-06 -0.22816E-05 1952 0.146E-02 181 F= -.50477732E+03 E0= -.50477732E+03 d E =-.107293E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499464757542E+03 0.38985E-03 -0.11805E-01 1856 0.820E-01 0.889E-02 DAV: 2 -0.499464982245E+03 -0.22470E-03 -0.24635E-03 2144 0.111E-01 0.431E-02 DAV: 3 -0.499464969030E+03 0.13215E-04 -0.46837E-05 2112 0.192E-02 0.251E-02 DAV: 4 -0.499464968282E+03 0.74861E-06 -0.38936E-05 2016 0.160E-02 182 F= -.50477741E+03 E0= -.50477741E+03 d E =-.116010E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499465062429E+03 -0.93399E-04 -0.42777E-02 1856 0.490E-01 0.563E-02 DAV: 2 -0.499465149401E+03 -0.86972E-04 -0.95593E-04 2208 0.682E-02 0.290E-02 DAV: 3 -0.499465144040E+03 0.53612E-05 -0.20970E-05 1920 0.132E-02 183 F= -.50477773E+03 E0= -.50477773E+03 d E =-.317979E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499464645945E+03 0.50346E-03 -0.38072E-01 1792 0.146E+00 0.168E-01 DAV: 2 -0.499465381719E+03 -0.73577E-03 -0.81602E-03 2080 0.201E-01 0.846E-02 DAV: 3 -0.499465338622E+03 0.43098E-04 -0.16134E-04 2208 0.365E-02 0.467E-02 DAV: 4 -0.499465335551E+03 0.30702E-05 -0.11284E-04 2112 0.273E-02 0.163E-02 DAV: 5 -0.499465335835E+03 -0.28343E-06 -0.24579E-05 1792 0.146E-02 184 F= -.50477834E+03 E0= -.50477834E+03 d E =-.933853E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499461387426E+03 0.39481E-02 -0.15299E+00 1792 0.293E+00 0.332E-01 DAV: 2 -0.499464410903E+03 -0.30235E-02 -0.33188E-02 2144 0.404E-01 0.166E-01 DAV: 3 -0.499464230764E+03 0.18014E-03 -0.63320E-04 2208 0.726E-02 0.919E-02 DAV: 4 -0.499464210965E+03 0.19798E-04 -0.44796E-04 2112 0.542E-02 0.321E-02 DAV: 5 -0.499464211126E+03 -0.16089E-06 -0.10145E-04 2176 0.289E-02 0.123E-02 DAV: 6 -0.499464212325E+03 -0.11985E-05 -0.11443E-05 1760 0.906E-03 185 F= -.50477805E+03 E0= -.50477805E+03 d E =-.646992E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499464024048E+03 0.18708E-03 -0.62107E-01 1792 0.187E+00 0.210E-01 DAV: 2 -0.499465244167E+03 -0.12201E-02 -0.13409E-02 2208 0.257E-01 0.106E-01 DAV: 3 -0.499465168301E+03 0.75866E-04 -0.26184E-04 2208 0.464E-02 0.588E-02 DAV: 4 -0.499465160178E+03 0.81225E-05 -0.18406E-04 2144 0.342E-02 0.203E-02 DAV: 5 -0.499465160429E+03 -0.25101E-06 -0.40258E-05 2240 0.179E-02 186 F= -.50477847E+03 E0= -.50477847E+03 d E =-.106358E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499465334143E+03 -0.17397E-03 -0.86647E-02 1856 0.701E-01 0.709E-02 DAV: 2 -0.499465496246E+03 -0.16210E-03 -0.18469E-03 2208 0.965E-02 0.395E-02 DAV: 3 -0.499465484911E+03 0.11335E-04 -0.38946E-05 2112 0.174E-02 0.223E-02 DAV: 4 -0.499465483170E+03 0.17405E-05 -0.26620E-05 1888 0.129E-02 187 F= -.50477893E+03 E0= -.50477893E+03 d E =-.457688E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499464522260E+03 0.96265E-03 -0.74782E-01 1792 0.206E+00 0.212E-01 DAV: 2 -0.499465940380E+03 -0.14181E-02 -0.15879E-02 2112 0.283E-01 0.115E-01 DAV: 3 -0.499465860633E+03 0.79747E-04 -0.33041E-04 2080 0.509E-02 0.650E-02 DAV: 4 -0.499465851875E+03 0.87583E-05 -0.25717E-04 2080 0.396E-02 0.249E-02 DAV: 5 -0.499465850697E+03 0.11776E-05 -0.53093E-05 2240 0.201E-02 188 F= -.50477969E+03 E0= -.50477969E+03 d E =-.121699E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499466221141E+03 -0.36927E-03 -0.23131E-01 1792 0.115E+00 0.181E-01 DAV: 2 -0.499466659891E+03 -0.43875E-03 -0.49303E-03 1984 0.158E-01 0.680E-02 DAV: 3 -0.499466630246E+03 0.29646E-04 -0.11613E-04 2176 0.306E-02 0.356E-02 DAV: 4 -0.499466629090E+03 0.11554E-05 -0.86610E-05 2144 0.232E-02 189 F= -.50478059E+03 E0= -.50478059E+03 d E =-.901872E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499466756743E+03 -0.12650E-03 -0.82564E-02 1792 0.687E-01 0.112E-01 DAV: 2 -0.499466916054E+03 -0.15931E-03 -0.18353E-03 2176 0.961E-02 0.435E-02 DAV: 3 -0.499466902708E+03 0.13346E-04 -0.54945E-05 2304 0.203E-02 0.222E-02 DAV: 4 -0.499466902324E+03 0.38396E-06 -0.23716E-05 1984 0.122E-02 190 F= -.50478094E+03 E0= -.50478094E+03 d E =-.124796E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499466467493E+03 0.43521E-03 -0.32842E-01 1792 0.137E+00 0.215E-01 DAV: 2 -0.499467083616E+03 -0.61612E-03 -0.70229E-03 2144 0.189E-01 0.819E-02 DAV: 3 -0.499467036997E+03 0.46618E-04 -0.17195E-04 2144 0.373E-02 0.428E-02 DAV: 4 -0.499467032999E+03 0.39985E-05 -0.13015E-04 2144 0.284E-02 0.170E-02 DAV: 5 -0.499467031396E+03 0.16027E-05 -0.23106E-05 2144 0.131E-02 191 F= -.50478121E+03 E0= -.50478121E+03 d E =-.152137E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499467056390E+03 -0.23392E-04 -0.17498E-01 1792 0.993E-01 0.116E-01 DAV: 2 -0.499467386757E+03 -0.33037E-03 -0.37795E-03 2080 0.137E-01 0.589E-02 DAV: 3 -0.499467366835E+03 0.19921E-04 -0.91902E-05 2080 0.267E-02 0.330E-02 DAV: 4 -0.499467365321E+03 0.15143E-05 -0.62829E-05 2176 0.195E-02 192 F= -.50478171E+03 E0= -.50478171E+03 d E =-.502258E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499467123111E+03 0.24372E-03 -0.18723E-01 1792 0.103E+00 0.122E-01 DAV: 2 -0.499467476590E+03 -0.35348E-03 -0.40943E-03 2144 0.143E-01 0.632E-02 DAV: 3 -0.499467453337E+03 0.23253E-04 -0.10773E-04 2112 0.290E-02 0.351E-02 DAV: 4 -0.499467451885E+03 0.14522E-05 -0.71813E-05 2048 0.208E-02 193 F= -.50478197E+03 E0= -.50478197E+03 d E =-.761360E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499467705287E+03 -0.25195E-03 -0.22547E-02 1984 0.363E-01 0.631E-02 DAV: 2 -0.499467752432E+03 -0.47145E-04 -0.59784E-04 2112 0.565E-02 0.309E-02 DAV: 3 -0.499467747749E+03 0.46834E-05 -0.24301E-05 1728 0.150E-02 194 F= -.50478236E+03 E0= -.50478236E+03 d E =-.389400E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499467685991E+03 0.66441E-04 -0.86461E-02 1792 0.711E-01 0.127E-01 DAV: 2 -0.499467851380E+03 -0.16539E-03 -0.21453E-03 2144 0.108E-01 0.599E-02 DAV: 3 -0.499467833874E+03 0.17506E-04 -0.83429E-05 2176 0.272E-02 0.274E-02 DAV: 4 -0.499467832560E+03 0.13145E-05 -0.24535E-05 1920 0.135E-02 195 F= -.50478263E+03 E0= -.50478263E+03 d E =-.657297E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499468002298E+03 -0.16842E-03 -0.26899E-02 1984 0.393E-01 0.500E-02 DAV: 2 -0.499468048422E+03 -0.46124E-04 -0.56830E-04 2240 0.544E-02 0.235E-02 DAV: 3 -0.499468044348E+03 0.40743E-05 -0.14618E-05 1792 0.108E-02 196 F= -.50478292E+03 E0= -.50478292E+03 d E =-.289490E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499467879963E+03 0.16846E-03 -0.24115E-01 1792 0.118E+00 0.150E-01 DAV: 2 -0.499468267541E+03 -0.38758E-03 -0.49209E-03 2208 0.162E-01 0.718E-02 DAV: 3 -0.499468232011E+03 0.35530E-04 -0.13204E-04 2240 0.309E-02 0.420E-02 DAV: 4 -0.499468221527E+03 0.10485E-04 -0.91522E-05 2144 0.252E-02 0.153E-02 DAV: 5 -0.499468220671E+03 0.85560E-06 -0.14924E-05 1664 0.125E-02 197 F= -.50478333E+03 E0= -.50478333E+03 d E =-.697779E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499468470224E+03 -0.24870E-03 -0.64236E-02 1856 0.610E-01 0.117E-01 DAV: 2 -0.499468609878E+03 -0.13965E-03 -0.15814E-03 2176 0.888E-02 0.391E-02 DAV: 3 -0.499468594876E+03 0.15002E-04 -0.41823E-05 2272 0.189E-02 0.184E-02 DAV: 4 -0.499468592725E+03 0.21507E-05 -0.14356E-05 1536 0.106E-02 198 F= -.50478380E+03 E0= -.50478380E+03 d E =-.478698E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499468554033E+03 0.40843E-04 -0.44574E-02 2048 0.508E-01 0.978E-02 DAV: 2 -0.499468648714E+03 -0.94681E-04 -0.10909E-03 2208 0.739E-02 0.327E-02 DAV: 3 -0.499468638375E+03 0.10339E-04 -0.29549E-05 2176 0.159E-02 0.154E-02 DAV: 4 -0.499468636903E+03 0.14712E-05 -0.10449E-05 1440 0.938E-03 199 F= -.50478394E+03 E0= -.50478394E+03 d E =-.611594E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499468807611E+03 -0.16924E-03 -0.35603E-02 1856 0.452E-01 0.720E-02 DAV: 2 -0.499468878820E+03 -0.71209E-04 -0.85820E-04 1984 0.667E-02 0.331E-02 DAV: 3 -0.499468873105E+03 0.57154E-05 -0.25277E-05 1952 0.145E-02 200 F= -.50478427E+03 E0= -.50478427E+03 d E =-.328870E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499468742159E+03 0.13666E-03 -0.10596E-01 1792 0.780E-01 0.127E-01 DAV: 2 -0.499468947016E+03 -0.20486E-03 -0.25017E-03 2048 0.114E-01 0.602E-02 DAV: 3 -0.499468929139E+03 0.17877E-04 -0.77417E-05 2144 0.252E-02 0.262E-02 DAV: 4 -0.499468927312E+03 0.18268E-05 -0.25696E-05 2144 0.134E-02 201 F= -.50478448E+03 E0= -.50478448E+03 d E =-.542807E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499469095796E+03 -0.16666E-03 -0.21490E-02 1920 0.350E-01 0.391E-02 DAV: 2 -0.499469136441E+03 -0.40645E-04 -0.46738E-04 2048 0.482E-02 0.210E-02 DAV: 3 -0.499469133890E+03 0.25512E-05 -0.11437E-05 1632 0.977E-03 202 F= -.50478474E+03 E0= -.50478474E+03 d E =-.261507E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499469149922E+03 -0.13481E-04 -0.19242E-01 1792 0.105E+00 0.115E-01 DAV: 2 -0.499469494087E+03 -0.34416E-03 -0.40342E-03 2080 0.143E-01 0.616E-02 DAV: 3 -0.499469471793E+03 0.22294E-04 -0.95520E-05 2176 0.269E-02 0.403E-02 DAV: 4 -0.499469467221E+03 0.45720E-05 -0.70631E-05 2144 0.218E-02 203 F= -.50478524E+03 E0= -.50478524E+03 d E =-.759082E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499469417229E+03 0.54564E-04 -0.37267E-02 1792 0.460E-01 0.525E-02 DAV: 2 -0.499469487786E+03 -0.70556E-04 -0.81815E-04 2048 0.636E-02 0.291E-02 DAV: 3 -0.499469482741E+03 0.50447E-05 -0.21815E-05 1920 0.134E-02 204 F= -.50478533E+03 E0= -.50478533E+03 d E =-.846351E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499469768016E+03 -0.28023E-03 -0.87820E-02 1792 0.706E-01 0.854E-02 DAV: 2 -0.499469930089E+03 -0.16207E-03 -0.19045E-03 2304 0.986E-02 0.401E-02 DAV: 3 -0.499469915712E+03 0.14377E-04 -0.38964E-05 2272 0.180E-02 0.244E-02 DAV: 4 -0.499469913561E+03 0.21510E-05 -0.36727E-05 2048 0.163E-02 205 F= -.50478582E+03 E0= -.50478582E+03 d E =-.492153E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499469890097E+03 0.25615E-04 -0.13382E-01 1856 0.871E-01 0.102E-01 DAV: 2 -0.499470150424E+03 -0.26033E-03 -0.29963E-03 2272 0.123E-01 0.479E-02 DAV: 3 -0.499470125934E+03 0.24490E-04 -0.61252E-05 2304 0.229E-02 0.291E-02 DAV: 4 -0.499470120278E+03 0.56557E-05 -0.54356E-05 2176 0.200E-02 206 F= -.50478610E+03 E0= -.50478610E+03 d E =-.773678E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499470223187E+03 -0.97253E-04 -0.33708E-02 1984 0.440E-01 0.664E-02 DAV: 2 -0.499470291458E+03 -0.68271E-04 -0.85280E-04 2048 0.662E-02 0.339E-02 DAV: 3 -0.499470285312E+03 0.61458E-05 -0.26502E-05 1984 0.146E-02 207 F= -.50478637E+03 E0= -.50478637E+03 d E =-.268548E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499470151297E+03 0.14016E-03 -0.60992E-02 1856 0.593E-01 0.923E-02 DAV: 2 -0.499470266503E+03 -0.11521E-03 -0.14781E-03 2080 0.878E-02 0.472E-02 DAV: 3 -0.499470255723E+03 0.10780E-04 -0.46369E-05 2080 0.191E-02 0.234E-02 DAV: 4 -0.499470254643E+03 0.10802E-05 -0.18737E-05 1952 0.115E-02 208 F= -.50478648E+03 E0= -.50478648E+03 d E =-.377925E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499470300647E+03 -0.44924E-04 -0.12167E-02 2048 0.262E-01 0.335E-02 DAV: 2 -0.499470324656E+03 -0.24009E-04 -0.27127E-04 2048 0.364E-02 0.162E-02 DAV: 3 -0.499470323006E+03 0.16495E-05 -0.74952E-06 1632 0.786E-03 209 F= -.50478661E+03 E0= -.50478661E+03 d E =-.131898E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499470257595E+03 0.67061E-04 -0.10880E-01 1792 0.784E-01 0.972E-02 DAV: 2 -0.499470458908E+03 -0.20131E-03 -0.23236E-03 2048 0.107E-01 0.472E-02 DAV: 3 -0.499470445701E+03 0.13207E-04 -0.58198E-05 2080 0.212E-02 0.267E-02 DAV: 4 -0.499470444573E+03 0.11282E-05 -0.39354E-05 1952 0.156E-02 210 F= -.50478692E+03 E0= -.50478692E+03 d E =-.443940E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499469538194E+03 0.90751E-03 -0.43789E-01 1792 0.157E+00 0.194E-01 DAV: 2 -0.499470375880E+03 -0.83769E-03 -0.95461E-03 2080 0.217E-01 0.951E-02 DAV: 3 -0.499470317263E+03 0.58617E-04 -0.24404E-04 2112 0.437E-02 0.538E-02 DAV: 4 -0.499470311377E+03 0.58853E-05 -0.16001E-04 2112 0.313E-02 0.215E-02 DAV: 5 -0.499470310951E+03 0.42591E-06 -0.35182E-05 2112 0.165E-02 211 F= -.50478717E+03 E0= -.50478717E+03 d E =-.690695E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499470530879E+03 -0.21950E-03 -0.46915E-02 1792 0.509E-01 0.687E-02 DAV: 2 -0.499470625481E+03 -0.94602E-04 -0.10348E-03 2304 0.696E-02 0.314E-02 DAV: 3 -0.499470617935E+03 0.75460E-05 -0.21268E-05 2048 0.130E-02 212 F= -.50478755E+03 E0= -.50478755E+03 d E =-.384290E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499470220077E+03 0.40540E-03 -0.42072E-01 1792 0.152E+00 0.202E-01 DAV: 2 -0.499471031698E+03 -0.81162E-03 -0.91810E-03 2272 0.208E-01 0.949E-02 DAV: 3 -0.499470958515E+03 0.73183E-04 -0.19654E-04 2304 0.385E-02 0.533E-02 DAV: 4 -0.499470944443E+03 0.14072E-04 -0.16461E-04 2176 0.333E-02 0.156E-02 DAV: 5 -0.499470944197E+03 0.24605E-06 -0.29566E-05 2080 0.149E-02 213 F= -.50478811E+03 E0= -.50478811E+03 d E =-.941568E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499471192971E+03 -0.24853E-03 -0.29950E-02 1920 0.410E-01 0.646E-02 DAV: 2 -0.499471253707E+03 -0.60735E-04 -0.73904E-04 2176 0.604E-02 0.352E-02 DAV: 3 -0.499471248993E+03 0.47136E-05 -0.24448E-05 2048 0.131E-02 214 F= -.50478846E+03 E0= -.50478846E+03 d E =-.348148E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499471163188E+03 0.90519E-04 -0.21816E-01 1792 0.111E+00 0.178E-01 DAV: 2 -0.499471574285E+03 -0.41110E-03 -0.52236E-03 2144 0.162E-01 0.986E-02 DAV: 3 -0.499471537985E+03 0.36300E-04 -0.18494E-04 2176 0.352E-02 0.499E-02 DAV: 4 -0.499471529995E+03 0.79899E-05 -0.84748E-05 2112 0.230E-02 215 F= -.50478886E+03 E0= -.50478886E+03 d E =-.746576E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499471690341E+03 -0.15236E-03 -0.52180E-02 1920 0.538E-01 0.663E-02 DAV: 2 -0.499471785277E+03 -0.94936E-04 -0.11842E-03 2112 0.767E-02 0.381E-02 DAV: 3 -0.499471778353E+03 0.69239E-05 -0.40306E-05 2112 0.170E-02 216 F= -.50478919E+03 E0= -.50478919E+03 d E =-.336818E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499471196578E+03 0.58870E-03 -0.46739E-01 1792 0.161E+00 0.189E-01 DAV: 2 -0.499471996849E+03 -0.80027E-03 -0.99703E-03 2144 0.224E-01 0.109E-01 DAV: 3 -0.499471939816E+03 0.57033E-04 -0.30440E-04 2176 0.459E-02 0.624E-02 DAV: 4 -0.499471927412E+03 0.12404E-04 -0.20580E-04 2112 0.360E-02 0.248E-02 DAV: 5 -0.499471925745E+03 0.16674E-05 -0.36057E-05 2144 0.180E-02 217 F= -.50478961E+03 E0= -.50478961E+03 d E =-.749761E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499471946192E+03 -0.18779E-04 -0.98314E-02 1792 0.742E-01 0.107E-01 DAV: 2 -0.499472141019E+03 -0.19483E-03 -0.21629E-03 2208 0.102E-01 0.420E-02 DAV: 3 -0.499472127076E+03 0.13942E-04 -0.50300E-05 2240 0.203E-02 0.245E-02 DAV: 4 -0.499472127378E+03 -0.30193E-06 -0.38381E-05 2048 0.155E-02 218 F= -.50479002E+03 E0= -.50479002E+03 d E =-.414364E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499471766784E+03 0.36029E-03 -0.21036E-01 1792 0.109E+00 0.155E-01 DAV: 2 -0.499472176544E+03 -0.40976E-03 -0.46268E-03 2176 0.150E-01 0.628E-02 DAV: 3 -0.499472139290E+03 0.37254E-04 -0.11626E-04 2272 0.305E-02 0.366E-02 DAV: 4 -0.499472133937E+03 0.53528E-05 -0.73473E-05 2176 0.219E-02 219 F= -.50479034E+03 E0= -.50479034E+03 d E =-.731359E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499472185134E+03 -0.45844E-04 -0.53223E-02 2048 0.548E-01 0.105E-01 DAV: 2 -0.499472294755E+03 -0.10962E-03 -0.13313E-03 2080 0.815E-02 0.540E-02 DAV: 3 -0.499472282638E+03 0.12118E-04 -0.47763E-05 2112 0.189E-02 0.250E-02 DAV: 4 -0.499472282735E+03 -0.97010E-07 -0.21830E-05 2176 0.116E-02 220 F= -.50479075E+03 E0= -.50479075E+03 d E =-.415717E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499471969438E+03 0.31320E-03 -0.91130E-02 1792 0.717E-01 0.138E-01 DAV: 2 -0.499472155374E+03 -0.18594E-03 -0.22620E-03 2080 0.106E-01 0.704E-02 DAV: 3 -0.499472135007E+03 0.20367E-04 -0.77852E-05 2080 0.239E-02 0.319E-02 DAV: 4 -0.499472134537E+03 0.46952E-06 -0.36122E-05 2048 0.147E-02 221 F= -.50479096E+03 E0= -.50479096E+03 d E =-.617089E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499472126230E+03 0.87771E-05 -0.60921E-02 1792 0.581E-01 0.678E-02 DAV: 2 -0.499472236245E+03 -0.11002E-03 -0.13362E-03 2048 0.815E-02 0.380E-02 DAV: 3 -0.499472227773E+03 0.84720E-05 -0.39290E-05 2176 0.167E-02 222 F= -.50479129E+03 E0= -.50479129E+03 d E =-.335764E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499470986399E+03 0.12498E-02 -0.54405E-01 1792 0.174E+00 0.198E-01 DAV: 2 -0.499471908106E+03 -0.92171E-03 -0.11466E-02 2144 0.241E-01 0.114E-01 DAV: 3 -0.499471841176E+03 0.66930E-04 -0.33257E-04 2208 0.478E-02 0.711E-02 DAV: 4 -0.499471827260E+03 0.13916E-04 -0.28664E-04 2112 0.427E-02 0.258E-02 DAV: 5 -0.499471822908E+03 0.43517E-05 -0.52459E-05 2304 0.216E-02 223 F= -.50479161E+03 E0= -.50479161E+03 d E =-.658303E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499471892658E+03 -0.65399E-04 -0.42295E-02 1792 0.485E-01 0.658E-02 DAV: 2 -0.499471977119E+03 -0.84460E-04 -0.95646E-04 2176 0.671E-02 0.321E-02 DAV: 3 -0.499471970704E+03 0.64146E-05 -0.26622E-05 2048 0.134E-02 224 F= -.50479188E+03 E0= -.50479188E+03 d E =-.266953E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499471353330E+03 0.62379E-03 -0.37912E-01 1792 0.145E+00 0.190E-01 DAV: 2 -0.499472056556E+03 -0.70323E-03 -0.82379E-03 2272 0.199E-01 0.979E-02 DAV: 3 -0.499471999792E+03 0.56763E-04 -0.22181E-04 2240 0.384E-02 0.549E-02 DAV: 4 -0.499471991632E+03 0.81599E-05 -0.13170E-04 2144 0.287E-02 0.181E-02 DAV: 5 -0.499471991890E+03 -0.25771E-06 -0.19388E-05 1856 0.136E-02 225 F= -.50479226E+03 E0= -.50479226E+03 d E =-.645300E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499472330857E+03 -0.33922E-03 -0.30293E-02 2048 0.408E-01 0.700E-02 DAV: 2 -0.499472391945E+03 -0.61088E-04 -0.76172E-04 2048 0.608E-02 0.432E-02 DAV: 3 -0.499472387362E+03 0.45826E-05 -0.27520E-05 2112 0.129E-02 226 F= -.50479265E+03 E0= -.50479265E+03 d E =-.390311E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499472460323E+03 -0.68378E-04 -0.27104E-01 1792 0.122E+00 0.218E-01 DAV: 2 -0.499472966244E+03 -0.50592E-03 -0.65938E-03 2048 0.180E-01 0.133E-01 DAV: 3 -0.499472918841E+03 0.47403E-04 -0.25590E-04 2208 0.389E-02 0.696E-02 DAV: 4 -0.499472912101E+03 0.67397E-05 -0.13211E-04 2016 0.272E-02 0.277E-02 DAV: 5 -0.499472910670E+03 0.14319E-05 -0.21594E-05 1984 0.135E-02 227 F= -.50479316E+03 E0= -.50479316E+03 d E =-.898396E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499473140339E+03 -0.22824E-03 -0.50202E-02 1856 0.531E-01 0.767E-02 DAV: 2 -0.499473233975E+03 -0.93636E-04 -0.11127E-03 2176 0.744E-02 0.325E-02 DAV: 3 -0.499473227395E+03 0.65803E-05 -0.30156E-05 2016 0.146E-02 228 F= -.50479353E+03 E0= -.50479353E+03 d E =-.377824E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499472926208E+03 0.30777E-03 -0.33093E-01 1792 0.136E+00 0.195E-01 DAV: 2 -0.499473495154E+03 -0.56895E-03 -0.70699E-03 2240 0.189E-01 0.864E-02 DAV: 3 -0.499473447486E+03 0.47668E-04 -0.20611E-04 2272 0.373E-02 0.489E-02 DAV: 4 -0.499473439260E+03 0.82260E-05 -0.11952E-04 2144 0.285E-02 0.176E-02 DAV: 5 -0.499473439335E+03 -0.75095E-07 -0.17096E-05 1824 0.129E-02 229 F= -.50479390E+03 E0= -.50479390E+03 d E =-.747626E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499473338835E+03 0.10043E-03 -0.78631E-02 1792 0.657E-01 0.101E-01 DAV: 2 -0.499473490103E+03 -0.15127E-03 -0.18089E-03 2240 0.928E-02 0.631E-02 DAV: 3 -0.499473476195E+03 0.13907E-04 -0.55105E-05 2240 0.195E-02 0.352E-02 DAV: 4 -0.499473476168E+03 0.27729E-07 -0.42854E-05 2176 0.156E-02 230 F= -.50479428E+03 E0= -.50479428E+03 d E =-.374335E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499473144883E+03 0.33131E-03 -0.90931E-02 1920 0.706E-01 0.111E-01 DAV: 2 -0.499473320849E+03 -0.17597E-03 -0.21277E-03 2144 0.100E-01 0.695E-02 DAV: 3 -0.499473303902E+03 0.16947E-04 -0.67351E-05 2240 0.215E-02 0.385E-02 DAV: 4 -0.499473303077E+03 0.82537E-06 -0.51247E-05 2048 0.171E-02 231 F= -.50479447E+03 E0= -.50479447E+03 d E =-.563876E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499473308771E+03 -0.48685E-05 -0.47360E-02 1984 0.506E-01 0.772E-02 DAV: 2 -0.499473403731E+03 -0.94961E-04 -0.11983E-03 2016 0.757E-02 0.437E-02 DAV: 3 -0.499473393861E+03 0.98703E-05 -0.37851E-05 2176 0.166E-02 232 F= -.50479483E+03 E0= -.50479483E+03 d E =-.363351E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499473108309E+03 0.29542E-03 -0.59804E-02 1856 0.568E-01 0.908E-02 DAV: 2 -0.499473213900E+03 -0.10559E-03 -0.14113E-03 2176 0.837E-02 0.504E-02 DAV: 3 -0.499473202526E+03 0.11374E-04 -0.48805E-05 2144 0.186E-02 0.267E-02 DAV: 4 -0.499473200777E+03 0.17486E-05 -0.26548E-05 1984 0.133E-02 233 F= -.50479495E+03 E0= -.50479495E+03 d E =-.479364E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499473224647E+03 -0.22122E-04 -0.20152E-02 1920 0.336E-01 0.548E-02 DAV: 2 -0.499473261461E+03 -0.36814E-04 -0.45557E-04 2176 0.477E-02 0.191E-02 DAV: 3 -0.499473257890E+03 0.35708E-05 -0.14548E-05 1760 0.104E-02 234 F= -.50479514E+03 E0= -.50479514E+03 d E =-.194722E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499472915825E+03 0.34564E-03 -0.17992E-01 1792 0.101E+00 0.160E-01 DAV: 2 -0.499473225270E+03 -0.30944E-03 -0.38632E-03 2240 0.140E-01 0.550E-02 DAV: 3 -0.499473199231E+03 0.26038E-04 -0.11718E-04 2176 0.284E-02 0.317E-02 DAV: 4 -0.499473195429E+03 0.38020E-05 -0.58056E-05 2048 0.194E-02 235 F= -.50479549E+03 E0= -.50479549E+03 d E =-.545338E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499473102392E+03 0.96839E-04 -0.12141E-02 2048 0.261E-01 0.453E-02 DAV: 2 -0.499473124798E+03 -0.22405E-04 -0.27812E-04 2240 0.373E-02 0.158E-02 DAV: 3 -0.499473122802E+03 0.19953E-05 -0.95797E-06 1664 0.857E-03 236 F= -.50479553E+03 E0= -.50479553E+03 d E =-.579385E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499473357296E+03 -0.23250E-03 -0.19132E-02 2144 0.328E-01 0.628E-02 DAV: 2 -0.499473396561E+03 -0.39264E-04 -0.51498E-04 2144 0.506E-02 0.384E-02 DAV: 3 -0.499473392053E+03 0.45078E-05 -0.20085E-05 1888 0.114E-02 237 F= -.50479581E+03 E0= -.50479581E+03 d E =-.284960E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499473445778E+03 -0.49218E-04 -0.31161E-02 2112 0.418E-01 0.832E-02 DAV: 2 -0.499473506083E+03 -0.60305E-04 -0.81645E-04 2112 0.637E-02 0.515E-02 DAV: 3 -0.499473498412E+03 0.76718E-05 -0.33796E-05 2048 0.148E-02 238 F= -.50479594E+03 E0= -.50479594E+03 d E =-.411536E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499473618045E+03 -0.11196E-03 -0.20347E-02 1984 0.333E-01 0.698E-02 DAV: 2 -0.499473656169E+03 -0.38124E-04 -0.51592E-04 2080 0.504E-02 0.354E-02 DAV: 3 -0.499473652128E+03 0.40415E-05 -0.18149E-05 1888 0.106E-02 239 F= -.50479613E+03 E0= -.50479613E+03 d E =-.187501E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499473629197E+03 0.26972E-04 -0.33238E-02 2048 0.426E-01 0.885E-02 DAV: 2 -0.499473690711E+03 -0.61514E-04 -0.84163E-04 2144 0.646E-02 0.440E-02 DAV: 3 -0.499473683502E+03 0.72089E-05 -0.32414E-05 2112 0.140E-02 240 F= -.50479620E+03 E0= -.50479620E+03 d E =-.262205E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499473715511E+03 -0.24800E-04 -0.23117E-02 1984 0.363E-01 0.448E-02 DAV: 2 -0.499473752233E+03 -0.36722E-04 -0.49367E-04 2144 0.516E-02 0.216E-02 DAV: 3 -0.499473749845E+03 0.23883E-05 -0.17644E-05 1792 0.115E-02 241 F= -.50479640E+03 E0= -.50479640E+03 d E =-.201103E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499473578016E+03 0.17422E-03 -0.50338E-02 1952 0.535E-01 0.667E-02 DAV: 2 -0.499473657643E+03 -0.79627E-04 -0.10559E-03 2112 0.754E-02 0.319E-02 DAV: 3 -0.499473651200E+03 0.64429E-05 -0.37176E-05 2144 0.166E-02 242 F= -.50479650E+03 E0= -.50479650E+03 d E =-.301343E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499473597946E+03 0.59697E-04 -0.18074E-02 2048 0.314E-01 0.568E-02 DAV: 2 -0.499473629821E+03 -0.31875E-04 -0.39930E-04 2304 0.443E-02 0.262E-02 DAV: 3 -0.499473626523E+03 0.32984E-05 -0.10594E-05 1664 0.944E-03 243 F= -.50479668E+03 E0= -.50479668E+03 d E =-.172843E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499472966667E+03 0.66315E-03 -0.16393E-01 2048 0.947E-01 0.162E-01 DAV: 2 -0.499473283398E+03 -0.31673E-03 -0.37301E-03 2080 0.133E-01 0.740E-02 DAV: 3 -0.499473251708E+03 0.31691E-04 -0.93501E-05 2272 0.266E-02 0.430E-02 DAV: 4 -0.499473245050E+03 0.66577E-05 -0.67296E-05 2144 0.218E-02 244 F= -.50479689E+03 E0= -.50479689E+03 d E =-.384296E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499473137033E+03 0.11467E-03 -0.34799E-02 2048 0.438E-01 0.616E-02 DAV: 2 -0.499473210246E+03 -0.73213E-04 -0.83878E-04 2048 0.639E-02 0.302E-02 DAV: 3 -0.499473205607E+03 0.46386E-05 -0.24473E-05 1920 0.135E-02 245 F= -.50479713E+03 E0= -.50479713E+03 d E =-.242781E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499472032542E+03 0.11777E-02 -0.31024E-01 1792 0.131E+00 0.183E-01 DAV: 2 -0.499472654079E+03 -0.62154E-03 -0.71758E-03 2048 0.188E-01 0.893E-02 DAV: 3 -0.499472612888E+03 0.41190E-04 -0.19999E-04 2144 0.381E-02 0.466E-02 DAV: 4 -0.499472609293E+03 0.35954E-05 -0.83674E-05 2112 0.232E-02 246 F= -.50479738E+03 E0= -.50479738E+03 d E =-.492933E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499472791398E+03 -0.17851E-03 -0.19260E-02 1920 0.326E-01 0.429E-02 DAV: 2 -0.499472829627E+03 -0.38228E-04 -0.43933E-04 2048 0.469E-02 0.206E-02 DAV: 3 -0.499472827308E+03 0.23183E-05 -0.93043E-06 1632 0.853E-03 247 F= -.50479739E+03 E0= -.50479739E+03 d E =-.500076E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499472885753E+03 -0.56126E-04 -0.28014E-02 1792 0.392E-01 0.448E-02 DAV: 2 -0.499472942412E+03 -0.56659E-04 -0.63966E-04 2112 0.551E-02 0.259E-02 DAV: 3 -0.499472939163E+03 0.32487E-05 -0.15588E-05 1824 0.101E-02 248 F= -.50479767E+03 E0= -.50479767E+03 d E =-.279163E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499472606714E+03 0.33570E-03 -0.24852E-01 1792 0.117E+00 0.139E-01 DAV: 2 -0.499473075277E+03 -0.46856E-03 -0.54803E-03 2208 0.162E-01 0.802E-02 DAV: 3 -0.499473049351E+03 0.25926E-04 -0.14284E-04 2208 0.297E-02 0.485E-02 DAV: 4 -0.499473043836E+03 0.55148E-05 -0.10272E-04 2144 0.247E-02 0.184E-02 DAV: 5 -0.499473043000E+03 0.83575E-06 -0.18841E-05 1888 0.124E-02 249 F= -.50479827E+03 E0= -.50479827E+03 d E =-.884589E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499470426078E+03 0.26178E-02 -0.99932E-01 1792 0.234E+00 0.275E-01 DAV: 2 -0.499472376745E+03 -0.19507E-02 -0.22391E-02 2208 0.326E-01 0.156E-01 DAV: 3 -0.499472264306E+03 0.11244E-03 -0.56362E-04 2208 0.596E-02 0.934E-02 DAV: 4 -0.499472241953E+03 0.22353E-04 -0.40791E-04 2112 0.488E-02 0.365E-02 DAV: 5 -0.499472239614E+03 0.23399E-05 -0.75917E-05 2240 0.244E-02 250 F= -.50479847E+03 E0= -.50479847E+03 d E =-.108282E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499472461827E+03 -0.21987E-03 -0.12479E-01 1792 0.826E-01 0.936E-02 DAV: 2 -0.499472699008E+03 -0.23718E-03 -0.27579E-03 2144 0.115E-01 0.561E-02 DAV: 3 -0.499472685442E+03 0.13566E-04 -0.73175E-05 2144 0.211E-02 0.349E-02 DAV: 4 -0.499472683576E+03 0.18662E-05 -0.56912E-05 2016 0.182E-02 251 F= -.50479856E+03 E0= -.50479856E+03 d E =-.117342E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499472672783E+03 0.12659E-04 -0.43127E-02 1984 0.477E-01 0.489E-02 DAV: 2 -0.499472757281E+03 -0.84498E-04 -0.92970E-04 2048 0.649E-02 0.285E-02 DAV: 3 -0.499472753386E+03 0.38952E-05 -0.19789E-05 1920 0.110E-02 252 F= -.50479883E+03 E0= -.50479883E+03 d E =-.266316E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499471989089E+03 0.76819E-03 -0.38676E-01 1792 0.143E+00 0.158E-01 DAV: 2 -0.499472731274E+03 -0.74218E-03 -0.83985E-03 2112 0.195E-01 0.944E-02 DAV: 3 -0.499472693407E+03 0.37867E-04 -0.20247E-04 2208 0.356E-02 0.571E-02 DAV: 4 -0.499472686612E+03 0.67952E-05 -0.19399E-04 2016 0.338E-02 0.202E-02 DAV: 5 -0.499472684424E+03 0.21884E-05 -0.35880E-05 2240 0.155E-02 253 F= -.50479935E+03 E0= -.50479935E+03 d E =-.786183E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499468472396E+03 0.42142E-02 -0.15561E+00 1792 0.286E+00 0.313E-01 DAV: 2 -0.499471557358E+03 -0.30850E-02 -0.34421E-02 2112 0.393E-01 0.185E-01 DAV: 3 -0.499471397580E+03 0.15978E-03 -0.82518E-04 2176 0.724E-02 0.111E-01 DAV: 4 -0.499471368808E+03 0.28773E-04 -0.83553E-04 2048 0.690E-02 0.420E-02 DAV: 5 -0.499471357848E+03 0.10960E-04 -0.15334E-04 2272 0.314E-02 0.210E-02 DAV: 6 -0.499471360106E+03 -0.22583E-05 -0.28324E-05 2080 0.117E-02 254 F= -.50479920E+03 E0= -.50479920E+03 d E =-.636377E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499471304875E+03 0.52973E-04 -0.57936E-01 1792 0.175E+00 0.187E-01 DAV: 2 -0.499472437223E+03 -0.11323E-02 -0.12694E-02 2112 0.239E-01 0.114E-01 DAV: 3 -0.499472376889E+03 0.60334E-04 -0.30749E-04 2176 0.437E-02 0.708E-02 DAV: 4 -0.499472364811E+03 0.12078E-04 -0.32773E-04 1984 0.435E-02 0.259E-02 DAV: 5 -0.499472361696E+03 0.31157E-05 -0.60213E-05 2304 0.196E-02 255 F= -.50479948E+03 E0= -.50479948E+03 d E =-.921065E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499472186693E+03 0.17812E-03 -0.13891E-01 1792 0.858E-01 0.102E-01 DAV: 2 -0.499472461500E+03 -0.27481E-03 -0.30174E-03 2112 0.117E-01 0.519E-02 DAV: 3 -0.499472445319E+03 0.16182E-04 -0.73917E-05 2272 0.224E-02 0.280E-02 DAV: 4 -0.499472443790E+03 0.15286E-05 -0.36952E-05 2080 0.147E-02 256 F= -.50480000E+03 E0= -.50480000E+03 d E =-.519626E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499470251280E+03 0.21940E-02 -0.98558E-01 1792 0.228E+00 0.272E-01 DAV: 2 -0.499472263516E+03 -0.20122E-02 -0.21995E-02 2112 0.316E-01 0.138E-01 DAV: 3 -0.499472152206E+03 0.11131E-03 -0.56473E-04 2208 0.618E-02 0.755E-02 DAV: 4 -0.499472143353E+03 0.88532E-05 -0.27812E-04 2048 0.397E-02 0.286E-02 DAV: 5 -0.499472144794E+03 -0.14410E-05 -0.70970E-05 2144 0.230E-02 257 F= -.50480087E+03 E0= -.50480087E+03 d E =-.138518E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499461739838E+03 0.10404E-01 -0.39368E+00 1792 0.457E+00 0.539E-01 DAV: 2 -0.499469764947E+03 -0.80251E-02 -0.87503E-02 2112 0.630E-01 0.273E-01 DAV: 3 -0.499469343675E+03 0.42127E-03 -0.21543E-03 2208 0.120E-01 0.150E-01 DAV: 4 -0.499469300705E+03 0.42969E-04 -0.10715E-03 2080 0.788E-02 0.560E-02 DAV: 5 -0.499469308206E+03 -0.75006E-05 -0.27229E-04 2176 0.452E-02 0.194E-02 DAV: 6 -0.499469313556E+03 -0.53505E-05 -0.36411E-05 2208 0.146E-02 258 F= -.50480036E+03 E0= -.50480036E+03 d E =-.877264E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499468272238E+03 0.10360E-02 -0.16892E+00 1792 0.299E+00 0.360E-01 DAV: 2 -0.499471717070E+03 -0.34448E-02 -0.37541E-02 2144 0.412E-01 0.178E-01 DAV: 3 -0.499471524368E+03 0.19270E-03 -0.94069E-04 2208 0.800E-02 0.959E-02 DAV: 4 -0.499471510843E+03 0.13525E-04 -0.49758E-04 2048 0.523E-02 0.368E-02 DAV: 5 -0.499471511138E+03 -0.29450E-06 -0.12240E-04 2208 0.294E-02 0.140E-02 DAV: 6 -0.499471513797E+03 -0.26588E-05 -0.16130E-05 1952 0.947E-03 259 F= -.50480104E+03 E0= -.50480104E+03 d E =-.155616E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499471441004E+03 0.70134E-04 -0.83514E-02 1856 0.663E-01 0.637E-02 DAV: 2 -0.499471605523E+03 -0.16452E-03 -0.17801E-03 2144 0.893E-02 0.383E-02 DAV: 3 -0.499471597186E+03 0.83370E-05 -0.39670E-05 2144 0.162E-02 260 F= -.50480144E+03 E0= -.50480144E+03 d E =-.406553E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.499470311584E+03 0.12939E-02 -0.74900E-01 1792 0.199E+00 0.197E-01 DAV: 2 -0.499471751081E+03 -0.14395E-02 -0.15768E-02 2080 0.267E-01 0.115E-01 DAV: 3 -0.499471689238E+03 0.61843E-04 -0.34753E-04 2176 0.474E-02 0.732E-02 DAV: 4 -0.499471684426E+03 0.48118E-05 -0.39421E-04 2112 0.477E-02 0.283E-02 DAV: 5 -0.499471678356E+03 0.60699E-05 -0.82448E-05 2272 0.227E-02 261 F= -.50480249E+03 E0= -.50480249E+03 d E =-.145624E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499465508292E+03 0.61761E-02 -0.30129E+00 1792 0.398E+00 0.386E-01 DAV: 2 -0.499471503943E+03 -0.59957E-02 -0.64745E-02 2144 0.540E-01 0.229E-01 DAV: 3 -0.499471224258E+03 0.27969E-03 -0.13833E-03 2080 0.955E-02 0.148E-01 DAV: 4 -0.499471196951E+03 0.27306E-04 -0.16873E-03 2144 0.979E-02 0.584E-02 DAV: 5 -0.499471168013E+03 0.28939E-04 -0.37014E-04 2304 0.481E-02 0.240E-02 DAV: 6 -0.499471175391E+03 -0.73782E-05 -0.59054E-05 2176 0.162E-02 262 F= -.50480392E+03 E0= -.50480392E+03 d E =-.288600E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499444858329E+03 0.26310E-01 -0.12056E+01 1792 0.797E+00 0.759E-01 DAV: 2 -0.499468838173E+03 -0.23980E-01 -0.25890E-01 2080 0.108E+00 0.461E-01 DAV: 3 -0.499467723251E+03 0.11149E-02 -0.54638E-03 2176 0.189E-01 0.302E-01 DAV: 4 -0.499467567611E+03 0.15564E-03 -0.67450E-03 2112 0.196E-01 0.118E-01 DAV: 5 -0.499467455840E+03 0.11177E-03 -0.14963E-03 2304 0.965E-02 0.471E-02 DAV: 6 -0.499467483973E+03 -0.28133E-04 -0.22661E-04 2176 0.317E-02 0.240E-02 DAV: 7 -0.499467491805E+03 -0.78320E-05 -0.15564E-05 1920 0.101E-02 263 F= -.50480409E+03 E0= -.50480409E+03 d E =-.305043E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499464585713E+03 0.28983E-02 -0.27456E+00 1792 0.380E+00 0.378E-01 DAV: 2 -0.499470024967E+03 -0.54393E-02 -0.58825E-02 2144 0.514E-01 0.217E-01 DAV: 3 -0.499469762655E+03 0.26231E-03 -0.12889E-03 2144 0.924E-02 0.136E-01 DAV: 4 -0.499469736413E+03 0.26242E-04 -0.14424E-03 2016 0.904E-02 0.539E-02 DAV: 5 -0.499469712560E+03 0.23853E-04 -0.31083E-04 2304 0.443E-02 0.224E-02 DAV: 6 -0.499469718278E+03 -0.57186E-05 -0.49277E-05 2048 0.147E-02 264 F= -.50480448E+03 E0= -.50480448E+03 d E =-.344198E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499468845042E+03 0.86752E-03 -0.69529E-01 1792 0.190E+00 0.188E-01 DAV: 2 -0.499470227726E+03 -0.13827E-02 -0.15109E-02 2112 0.258E-01 0.107E-01 DAV: 3 -0.499470161174E+03 0.66552E-04 -0.32614E-04 2112 0.451E-02 0.658E-02 DAV: 4 -0.499470146020E+03 0.15153E-04 -0.31452E-04 2080 0.423E-02 0.265E-02 DAV: 5 -0.499470142845E+03 0.31755E-05 -0.64164E-05 2304 0.197E-02 265 F= -.50480566E+03 E0= -.50480566E+03 d E =-.118133E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499458083527E+03 0.12062E-01 -0.62666E+00 1792 0.570E+00 0.571E-01 DAV: 2 -0.499470721430E+03 -0.12638E-01 -0.13650E-01 2112 0.776E-01 0.319E-01 DAV: 3 -0.499470135090E+03 0.58634E-03 -0.29121E-03 2112 0.135E-01 0.194E-01 DAV: 4 -0.499470012385E+03 0.12270E-03 -0.25746E-03 2176 0.122E-01 0.772E-02 DAV: 5 -0.499469995486E+03 0.16899E-04 -0.55630E-04 2304 0.585E-02 0.301E-02 DAV: 6 -0.499470009550E+03 -0.14065E-04 -0.64292E-05 2176 0.170E-02 0.151E-02 DAV: 7 -0.499470013672E+03 -0.41219E-05 -0.46961E-06 1376 0.652E-03 266 F= -.50480779E+03 E0= -.50480779E+03 d E =-.331035E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499467021615E+03 0.29879E-02 -0.12042E+00 1792 0.250E+00 0.249E-01 DAV: 2 -0.499469450925E+03 -0.24293E-02 -0.26234E-02 2112 0.340E-01 0.140E-01 DAV: 3 -0.499469336065E+03 0.11486E-03 -0.55704E-04 2144 0.591E-02 0.859E-02 DAV: 4 -0.499469312502E+03 0.23563E-04 -0.50835E-04 2144 0.547E-02 0.335E-02 DAV: 5 -0.499469310772E+03 0.17304E-05 -0.10830E-04 2304 0.258E-02 0.138E-02 DAV: 6 -0.499469315184E+03 -0.44124E-05 -0.12244E-05 1792 0.762E-03 267 F= -.50480807E+03 E0= -.50480807E+03 d E =-.359524E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499466992265E+03 0.23185E-02 -0.15893E+00 1792 0.288E+00 0.299E-01 DAV: 2 -0.499470204175E+03 -0.32119E-02 -0.35526E-02 2144 0.398E-01 0.192E-01 DAV: 3 -0.499470064048E+03 0.14013E-03 -0.85377E-04 2112 0.702E-02 0.114E-01 DAV: 4 -0.499470037432E+03 0.26616E-04 -0.63546E-04 2112 0.581E-02 0.450E-02 DAV: 5 -0.499470036172E+03 0.12601E-05 -0.12398E-04 2304 0.281E-02 0.182E-02 DAV: 6 -0.499470042731E+03 -0.65593E-05 -0.15519E-05 1920 0.888E-03 268 F= -.50480977E+03 E0= -.50480977E+03 d E =-.169958E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499466927404E+03 0.31088E-02 -0.16622E+00 1792 0.294E+00 0.306E-01 DAV: 2 -0.499470290148E+03 -0.33627E-02 -0.37267E-02 2112 0.408E-01 0.196E-01 DAV: 3 -0.499470144738E+03 0.14541E-03 -0.90112E-04 2144 0.719E-02 0.116E-01 DAV: 4 -0.499470117610E+03 0.27128E-04 -0.67104E-04 2080 0.596E-02 0.463E-02 DAV: 5 -0.499470116528E+03 0.10813E-05 -0.13031E-04 2304 0.289E-02 0.188E-02 DAV: 6 -0.499470123768E+03 -0.72400E-05 -0.16794E-05 1984 0.919E-03 269 F= -.50481085E+03 E0= -.50481085E+03 d E =-.277053E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499455545307E+03 0.14571E-01 -0.66453E+00 1792 0.589E+00 0.615E-01 DAV: 2 -0.499468950425E+03 -0.13405E-01 -0.14847E-01 2144 0.815E-01 0.389E-01 DAV: 3 -0.499468356674E+03 0.59375E-03 -0.36201E-03 2144 0.145E-01 0.227E-01 DAV: 4 -0.499468246962E+03 0.10971E-03 -0.25898E-03 2080 0.117E-01 0.906E-02 DAV: 5 -0.499468238925E+03 0.80377E-05 -0.50780E-04 2304 0.570E-02 0.354E-02 DAV: 6 -0.499468261320E+03 -0.22395E-04 -0.65142E-05 2048 0.179E-02 0.151E-02 DAV: 7 -0.499468269454E+03 -0.81337E-05 -0.68865E-06 1408 0.790E-03 270 F= -.50481096E+03 E0= -.50481096E+03 d E =-.288487E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499466319332E+03 0.19420E-02 -0.16864E+00 1792 0.297E+00 0.307E-01 DAV: 2 -0.499469732462E+03 -0.34131E-02 -0.37861E-02 2112 0.410E-01 0.202E-01 DAV: 3 -0.499469592039E+03 0.14042E-03 -0.92040E-04 2176 0.718E-02 0.125E-01 DAV: 4 -0.499469559657E+03 0.32383E-04 -0.72843E-04 2048 0.624E-02 0.491E-02 DAV: 5 -0.499469557062E+03 0.25950E-05 -0.14027E-04 2304 0.299E-02 0.215E-02 DAV: 6 -0.499469561862E+03 -0.48000E-05 -0.18777E-05 2048 0.975E-03 271 F= -.50481126E+03 E0= -.50481126E+03 d E =-.318615E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499464905370E+03 0.46517E-02 -0.29175E+00 1792 0.390E+00 0.384E-01 DAV: 2 -0.499470716172E+03 -0.58108E-02 -0.63673E-02 2144 0.532E-01 0.237E-01 DAV: 3 -0.499470442671E+03 0.27350E-03 -0.14625E-03 2144 0.939E-02 0.147E-01 DAV: 4 -0.499470385875E+03 0.56796E-04 -0.14155E-03 2080 0.879E-02 0.581E-02 DAV: 5 -0.499470369186E+03 0.16689E-04 -0.28672E-04 2272 0.425E-02 0.240E-02 DAV: 6 -0.499470375502E+03 -0.63160E-05 -0.38480E-05 2080 0.137E-02 272 F= -.50481347E+03 E0= -.50481347E+03 d E =-.220643E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499454089644E+03 0.16280E-01 -0.83686E+00 1792 0.661E+00 0.657E-01 DAV: 2 -0.499470911185E+03 -0.16822E-01 -0.18380E-01 2112 0.905E-01 0.399E-01 DAV: 3 -0.499470138371E+03 0.77281E-03 -0.42575E-03 2208 0.160E-01 0.244E-01 DAV: 4 -0.499469988807E+03 0.14956E-03 -0.37441E-03 2080 0.144E-01 0.956E-02 DAV: 5 -0.499469959238E+03 0.29568E-04 -0.78120E-04 2272 0.709E-02 0.372E-02 DAV: 6 -0.499469983340E+03 -0.24102E-04 -0.96325E-05 2048 0.218E-02 0.183E-02 DAV: 7 -0.499469989429E+03 -0.60887E-05 -0.78732E-06 1408 0.879E-03 273 F= -.50481542E+03 E0= -.50481542E+03 d E =-.416385E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499465817262E+03 0.41661E-02 -0.25208E+00 1792 0.356E+00 0.401E-01 DAV: 2 -0.499470970426E+03 -0.51532E-02 -0.55869E-02 2112 0.483E-01 0.238E-01 DAV: 3 -0.499470637993E+03 0.33243E-03 -0.11832E-03 2240 0.910E-02 0.145E-01 DAV: 4 -0.499470606790E+03 0.31203E-04 -0.13732E-03 2144 0.887E-02 0.486E-02 DAV: 5 -0.499470589020E+03 0.17770E-04 -0.30477E-04 2272 0.439E-02 0.212E-02 DAV: 6 -0.499470594451E+03 -0.54320E-05 -0.36603E-05 2144 0.125E-02 274 F= -.50481779E+03 E0= -.50481779E+03 d E =-.236228E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499468747076E+03 0.18419E-02 -0.72535E-01 1792 0.191E+00 0.218E-01 DAV: 2 -0.499470244426E+03 -0.14974E-02 -0.16124E-02 2144 0.259E-01 0.127E-01 DAV: 3 -0.499470151486E+03 0.92940E-04 -0.34191E-04 2208 0.492E-02 0.765E-02 DAV: 4 -0.499470147482E+03 0.40038E-05 -0.37936E-04 2176 0.466E-02 0.258E-02 DAV: 5 -0.499470143912E+03 0.35703E-05 -0.86007E-05 2272 0.234E-02 275 F= -.50481828E+03 E0= -.50481828E+03 d E =-.285277E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499469572794E+03 0.57469E-03 -0.11964E-01 1856 0.775E-01 0.913E-02 DAV: 2 -0.499469824071E+03 -0.25128E-03 -0.26775E-03 2208 0.106E-01 0.514E-02 DAV: 3 -0.499469810896E+03 0.13175E-04 -0.56816E-05 2176 0.203E-02 0.308E-02 DAV: 4 -0.499469813691E+03 -0.27944E-05 -0.61069E-05 2080 0.188E-02 276 F= -.50481833E+03 E0= -.50481833E+03 d E =-.290491E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499464426164E+03 0.53847E-02 -0.26928E+00 1792 0.371E+00 0.430E-01 DAV: 2 -0.499469938986E+03 -0.55128E-02 -0.60353E-02 2144 0.511E-01 0.264E-01 DAV: 3 -0.499469641488E+03 0.29750E-03 -0.14624E-03 2208 0.963E-02 0.156E-01 DAV: 4 -0.499469613824E+03 0.27664E-04 -0.11593E-03 2112 0.805E-02 0.541E-02 DAV: 5 -0.499469607034E+03 0.67893E-05 -0.30605E-04 2304 0.439E-02 0.175E-02 DAV: 6 -0.499469612890E+03 -0.58555E-05 -0.30547E-05 2144 0.119E-02 277 F= -.50481993E+03 E0= -.50481993E+03 d E =-.160420E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499468383156E+03 0.12239E-02 -0.41016E-01 1792 0.145E+00 0.170E-01 DAV: 2 -0.499469223847E+03 -0.84069E-03 -0.91264E-03 2176 0.199E-01 0.101E-01 DAV: 3 -0.499469182696E+03 0.41151E-04 -0.21447E-04 2144 0.370E-02 0.584E-02 DAV: 4 -0.499469182414E+03 0.28223E-06 -0.15291E-04 2144 0.298E-02 0.194E-02 DAV: 5 -0.499469184694E+03 -0.22799E-05 -0.38556E-05 2272 0.158E-02 278 F= -.50482021E+03 E0= -.50482021E+03 d E =-.188034E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499464548289E+03 0.46341E-02 -0.16370E+00 1792 0.289E+00 0.336E-01 DAV: 2 -0.499467887536E+03 -0.33392E-02 -0.36375E-02 2144 0.397E-01 0.204E-01 DAV: 3 -0.499467714144E+03 0.17339E-03 -0.85425E-04 2176 0.739E-02 0.119E-01 DAV: 4 -0.499467700972E+03 0.13172E-04 -0.67753E-04 2144 0.617E-02 0.408E-02 DAV: 5 -0.499467698150E+03 0.28221E-05 -0.17605E-04 2272 0.333E-02 0.137E-02 DAV: 6 -0.499467702581E+03 -0.44309E-05 -0.17943E-05 2176 0.904E-03 279 F= -.50482014E+03 E0= -.50482014E+03 d E =-.180741E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499467595645E+03 0.10250E-03 -0.56818E-01 1792 0.170E+00 0.203E-01 DAV: 2 -0.499468752097E+03 -0.11565E-02 -0.12601E-02 2112 0.234E-01 0.120E-01 DAV: 3 -0.499468690079E+03 0.62018E-04 -0.30952E-04 2272 0.448E-02 0.678E-02 DAV: 4 -0.499468687292E+03 0.27868E-05 -0.22523E-04 1984 0.354E-02 0.232E-02 DAV: 5 -0.499468686078E+03 0.12138E-05 -0.57010E-05 2304 0.191E-02 280 F= -.50482029E+03 E0= -.50482029E+03 d E =-.196014E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499463749222E+03 0.49381E-02 -0.31997E+00 1792 0.407E+00 0.395E-01 DAV: 2 -0.499470178756E+03 -0.64295E-02 -0.70404E-02 2144 0.560E-01 0.237E-01 DAV: 3 -0.499469871461E+03 0.30729E-03 -0.16622E-03 2304 0.100E-01 0.139E-01 DAV: 4 -0.499469791702E+03 0.79759E-04 -0.99395E-04 2080 0.773E-02 0.523E-02 DAV: 5 -0.499469794461E+03 -0.27591E-05 -0.21450E-04 2272 0.383E-02 0.188E-02 DAV: 6 -0.499469799854E+03 -0.53930E-05 -0.23035E-05 2144 0.113E-02 281 F= -.50482272E+03 E0= -.50482272E+03 d E =-.243245E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499460734849E+03 0.90596E-02 -0.47902E+00 1792 0.499E+00 0.485E-01 DAV: 2 -0.499470412918E+03 -0.96781E-02 -0.10555E-01 2112 0.685E-01 0.289E-01 DAV: 3 -0.499469969486E+03 0.44343E-03 -0.24544E-03 2272 0.122E-01 0.169E-01 DAV: 4 -0.499469861695E+03 0.10779E-03 -0.14775E-03 2112 0.946E-02 0.634E-02 DAV: 5 -0.499469869617E+03 -0.79220E-05 -0.32357E-04 2304 0.472E-02 0.229E-02 DAV: 6 -0.499469880428E+03 -0.10810E-04 -0.35134E-05 2176 0.140E-02 0.121E-02 DAV: 7 -0.499469886482E+03 -0.60541E-05 -0.46915E-06 1376 0.772E-03 282 F= -.50482442E+03 E0= -.50482442E+03 d E =-.413287E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499429288562E+03 0.40592E-01 -0.19151E+01 1792 0.997E+00 0.971E-01 DAV: 2 -0.499467971793E+03 -0.38683E-01 -0.42181E-01 2112 0.137E+00 0.573E-01 DAV: 3 -0.499466174891E+03 0.17969E-02 -0.98624E-03 2272 0.244E-01 0.334E-01 DAV: 4 -0.499465737725E+03 0.43717E-03 -0.57299E-03 2080 0.186E-01 0.126E-01 DAV: 5 -0.499465766600E+03 -0.28875E-04 -0.12775E-03 2304 0.939E-02 0.428E-02 DAV: 6 -0.499465802078E+03 -0.35478E-04 -0.13917E-04 2176 0.278E-02 0.234E-02 DAV: 7 -0.499465817516E+03 -0.15438E-04 -0.20930E-05 1664 0.149E-02 0.857E-03 DAV: 8 -0.499465831644E+03 -0.14128E-04 -0.90371E-06 1472 0.929E-03 0.276E-03 DAV: 9 -0.499465841573E+03 -0.99287E-05 -0.28256E-06 1440 0.537E-03 283 F= -.50482362E+03 E0= -.50482362E+03 d E =-.332577E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499453265544E+03 0.12566E-01 -0.82541E+00 1792 0.655E+00 0.653E-01 DAV: 2 -0.499470103801E+03 -0.16838E-01 -0.18353E-01 2144 0.900E-01 0.386E-01 DAV: 3 -0.499469333701E+03 0.77010E-03 -0.42763E-03 2240 0.160E-01 0.232E-01 DAV: 4 -0.499469128732E+03 0.20497E-03 -0.28601E-03 2048 0.131E-01 0.888E-02 DAV: 5 -0.499469128774E+03 -0.41618E-07 -0.60033E-04 2304 0.636E-02 0.382E-02 DAV: 6 -0.499469144934E+03 -0.16160E-04 -0.71453E-05 2048 0.196E-02 0.170E-02 DAV: 7 -0.499469149180E+03 -0.42466E-05 -0.72468E-06 1376 0.914E-03 284 F= -.50482479E+03 E0= -.50482479E+03 d E =-.450500E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499467771823E+03 0.13731E-02 -0.12705E+00 1792 0.254E+00 0.247E-01 DAV: 2 -0.499470327522E+03 -0.25557E-02 -0.27670E-02 2048 0.342E-01 0.155E-01 DAV: 3 -0.499470220735E+03 0.10679E-03 -0.60192E-04 2208 0.585E-02 0.959E-02 DAV: 4 -0.499470201380E+03 0.19354E-04 -0.71514E-04 2048 0.637E-02 0.368E-02 DAV: 5 -0.499470190765E+03 0.10615E-04 -0.13698E-04 2304 0.282E-02 0.193E-02 DAV: 6 -0.499470190983E+03 -0.21807E-06 -0.23308E-05 2080 0.103E-02 285 F= -.50482653E+03 E0= -.50482653E+03 d E =-.173981E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499450246666E+03 0.19944E-01 -0.11456E+01 1792 0.762E+00 0.746E-01 DAV: 2 -0.499473320460E+03 -0.23074E-01 -0.24942E-01 2112 0.103E+00 0.460E-01 DAV: 3 -0.499472303692E+03 0.10168E-02 -0.53963E-03 2144 0.177E-01 0.279E-01 DAV: 4 -0.499472102207E+03 0.20148E-03 -0.60413E-03 2112 0.184E-01 0.109E-01 DAV: 5 -0.499472026343E+03 0.75864E-04 -0.11594E-03 2304 0.823E-02 0.538E-02 DAV: 6 -0.499472039274E+03 -0.12931E-04 -0.18685E-04 2176 0.291E-02 0.251E-02 DAV: 7 -0.499472043394E+03 -0.41199E-05 -0.29743E-05 2080 0.127E-02 286 F= -.50483049E+03 E0= -.50483049E+03 d E =-.569318E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499382609996E+03 0.89429E-01 -0.45819E+01 1792 0.152E+01 0.152E+00 DAV: 2 -0.499475160480E+03 -0.92550E-01 -0.99723E-01 2080 0.207E+00 0.900E-01 DAV: 3 -0.499471023413E+03 0.41371E-02 -0.22026E-02 2240 0.356E-01 0.530E-01 DAV: 4 -0.499470129230E+03 0.89418E-03 -0.19355E-02 2112 0.335E-01 0.200E-01 DAV: 5 -0.499469985933E+03 0.14330E-03 -0.39248E-03 2304 0.154E-01 0.840E-02 DAV: 6 -0.499470068900E+03 -0.82967E-04 -0.49608E-04 2112 0.474E-02 0.436E-02 DAV: 7 -0.499470088767E+03 -0.19867E-04 -0.54058E-05 2080 0.193E-02 0.200E-02 DAV: 8 -0.499470126821E+03 -0.38054E-04 -0.29076E-05 2080 0.144E-02 0.692E-03 DAV: 9 -0.499470142356E+03 -0.15535E-04 -0.47189E-06 1504 0.570E-03 0.337E-03 DAV: 10 -0.499470160165E+03 -0.17809E-04 -0.25051E-06 1440 0.407E-03 0.152E-03 DAV: 11 -0.499470176100E+03 -0.15935E-04 -0.19028E-06 1408 0.352E-03 0.138E-03 DAV: 12 -0.499470191250E+03 -0.15150E-04 -0.15184E-06 1376 0.337E-03 0.816E-04 DAV: 13 -0.499470199367E+03 -0.81170E-05 -0.96820E-07 1440 0.218E-03 287 F= -.50483290E+03 E0= -.50483290E+03 d E =-.810532E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499467601697E+03 0.25896E-02 -0.17691E+00 1792 0.299E+00 0.284E-01 DAV: 2 -0.499471177652E+03 -0.35760E-02 -0.38752E-02 2048 0.405E-01 0.174E-01 DAV: 3 -0.499471024157E+03 0.15350E-03 -0.88591E-04 2304 0.708E-02 0.107E-01 DAV: 4 -0.499470984719E+03 0.39438E-04 -0.67410E-04 2080 0.626E-02 0.407E-02 DAV: 5 -0.499470983434E+03 0.12843E-05 -0.13986E-04 2304 0.300E-02 0.157E-02 DAV: 6 -0.499470988582E+03 -0.51472E-05 -0.15469E-05 1888 0.872E-03 288 F= -.50483462E+03 E0= -.50483462E+03 d E =-.171845E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499441886216E+03 0.29097E-01 -0.15934E+01 1792 0.897E+00 0.853E-01 DAV: 2 -0.499474197039E+03 -0.32311E-01 -0.34906E-01 2080 0.122E+00 0.517E-01 DAV: 3 -0.499472813375E+03 0.13837E-02 -0.79705E-03 2272 0.213E-01 0.313E-01 DAV: 4 -0.499472483773E+03 0.32960E-03 -0.56924E-03 2080 0.181E-01 0.122E-01 DAV: 5 -0.499472486084E+03 -0.23104E-05 -0.12267E-03 2304 0.889E-02 0.427E-02 DAV: 6 -0.499472528262E+03 -0.42179E-04 -0.13234E-04 2112 0.252E-02 0.223E-02 DAV: 7 -0.499472542743E+03 -0.14481E-04 -0.13891E-05 1632 0.108E-02 0.963E-03 DAV: 8 -0.499472559724E+03 -0.16981E-04 -0.79915E-06 1440 0.679E-03 0.259E-03 DAV: 9 -0.499472567588E+03 -0.78638E-05 -0.14977E-06 1504 0.315E-03 289 F= -.50483902E+03 E0= -.50483902E+03 d E =-.611521E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499347993523E+03 0.12457E+00 -0.63698E+01 1792 0.179E+01 0.174E+00 DAV: 2 -0.499478385686E+03 -0.13039E+00 -0.14055E+00 2016 0.244E+00 0.102E+00 DAV: 3 -0.499472760688E+03 0.56250E-02 -0.32061E-02 2272 0.431E-01 0.616E-01 DAV: 4 -0.499471581044E+03 0.11796E-02 -0.21648E-02 2080 0.345E-01 0.256E-01 DAV: 5 -0.499471598629E+03 -0.17584E-04 -0.49745E-03 2304 0.177E-01 0.825E-02 DAV: 6 -0.499471754253E+03 -0.15562E-03 -0.54258E-04 2112 0.514E-02 0.418E-02 DAV: 7 -0.499471797535E+03 -0.43282E-04 -0.78124E-05 2176 0.225E-02 0.196E-02 DAV: 8 -0.499471844965E+03 -0.47430E-04 -0.24866E-05 2016 0.121E-02 0.561E-03 DAV: 9 -0.499471867161E+03 -0.22197E-04 -0.33812E-06 1472 0.505E-03 0.296E-03 DAV: 10 -0.499471895799E+03 -0.28638E-04 -0.29555E-06 1376 0.367E-03 0.193E-03 DAV: 11 -0.499471915158E+03 -0.19359E-04 -0.15063E-06 1440 0.251E-03 0.117E-03 DAV: 12 -0.499471934460E+03 -0.19302E-04 -0.19099E-06 1408 0.286E-03 0.139E-03 DAV: 13 -0.499471940419E+03 -0.59591E-05 -0.46101E-07 1536 0.142E-03 290 F= -.50484418E+03 E0= -.50484418E+03 d E =-.112845E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.499470297499E+03 0.16370E-02 -0.32318E+00 1792 0.406E+00 0.456E-01 DAV: 2 -0.499476917076E+03 -0.66196E-02 -0.73288E-02 2208 0.563E-01 0.267E-01 DAV: 3 -0.499476525968E+03 0.39111E-03 -0.17425E-03 2304 0.106E-01 0.154E-01 DAV: 4 -0.499476469961E+03 0.56007E-04 -0.89110E-04 2112 0.708E-02 0.543E-02 DAV: 5 -0.499476480387E+03 -0.10426E-04 -0.17924E-04 2272 0.378E-02 0.156E-02 DAV: 6 -0.499476484741E+03 -0.43536E-05 -0.22109E-05 1984 0.114E-02 291 F= -.50485041E+03 E0= -.50485041E+03 d E =-.622428E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499439970061E+03 0.36510E-01 -0.20216E+01 1792 0.102E+01 0.112E+00 DAV: 2 -0.499481652018E+03 -0.41682E-01 -0.46075E-01 2208 0.141E+00 0.678E-01 DAV: 3 -0.499479279366E+03 0.23727E-02 -0.10656E-02 2304 0.260E-01 0.406E-01 DAV: 4 -0.499478885647E+03 0.39372E-03 -0.57482E-03 2144 0.181E-01 0.145E-01 DAV: 5 -0.499478968749E+03 -0.83102E-04 -0.11960E-03 2272 0.977E-02 0.400E-02 DAV: 6 -0.499478996315E+03 -0.27566E-04 -0.15383E-04 2272 0.296E-02 0.247E-02 DAV: 7 -0.499479021433E+03 -0.25118E-04 -0.22647E-05 2016 0.136E-02 0.802E-03 DAV: 8 -0.499479038730E+03 -0.17297E-04 -0.55975E-06 1536 0.602E-03 0.296E-03 DAV: 9 -0.499479052256E+03 -0.13526E-04 -0.14656E-06 1440 0.308E-03 0.155E-03 DAV: 10 -0.499479065286E+03 -0.13030E-04 -0.82534E-07 1472 0.208E-03 0.984E-04 DAV: 11 -0.499479075160E+03 -0.98743E-05 -0.60570E-07 1472 0.160E-03 292 F= -.50485726E+03 E0= -.50485726E+03 d E =-.130786E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.499475631613E+03 0.34337E-02 -0.33289E+00 1792 0.412E+00 0.465E-01 DAV: 2 -0.499482450395E+03 -0.68188E-02 -0.74148E-02 2208 0.562E-01 0.251E-01 DAV: 3 -0.499482008359E+03 0.44204E-03 -0.15022E-03 2272 0.102E-01 0.150E-01 DAV: 4 -0.499481943292E+03 0.65067E-04 -0.14956E-03 2176 0.955E-02 0.488E-02 DAV: 5 -0.499481926798E+03 0.16494E-04 -0.32006E-04 2304 0.461E-02 0.225E-02 DAV: 6 -0.499481930514E+03 -0.37163E-05 -0.34843E-05 2144 0.124E-02 293 F= -.50486179E+03 E0= -.50486179E+03 d E =-.452251E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499460438558E+03 0.21488E-01 -0.11471E+01 1792 0.765E+00 0.856E-01 DAV: 2 -0.499484027918E+03 -0.23589E-01 -0.25604E-01 2240 0.104E+00 0.469E-01 DAV: 3 -0.499482532361E+03 0.14956E-02 -0.51403E-03 2272 0.187E-01 0.286E-01 DAV: 4 -0.499482305590E+03 0.22677E-03 -0.52531E-03 2144 0.179E-01 0.918E-02 DAV: 5 -0.499482246487E+03 0.59103E-04 -0.11653E-03 2272 0.877E-02 0.415E-02 DAV: 6 -0.499482262225E+03 -0.15738E-04 -0.12550E-04 2080 0.236E-02 0.251E-02 DAV: 7 -0.499482267716E+03 -0.54915E-05 -0.91363E-06 1472 0.879E-03 294 F= -.50486526E+03 E0= -.50486526E+03 d E =-.800008E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499475408780E+03 0.68534E-02 -0.56978E+00 1792 0.540E+00 0.528E-01 DAV: 2 -0.499487165267E+03 -0.11756E-01 -0.12733E-01 2240 0.741E-01 0.306E-01 DAV: 3 -0.499486538963E+03 0.62630E-03 -0.25574E-03 2304 0.127E-01 0.188E-01 DAV: 4 -0.499486385005E+03 0.15396E-03 -0.20887E-03 2144 0.112E-01 0.690E-02 DAV: 5 -0.499486387636E+03 -0.26311E-05 -0.43683E-04 2304 0.538E-02 0.266E-02 DAV: 6 -0.499486401690E+03 -0.14054E-04 -0.47444E-05 2048 0.154E-02 0.160E-02 DAV: 7 -0.499486409887E+03 -0.81969E-05 -0.39619E-06 1472 0.637E-03 295 F= -.50487094E+03 E0= -.50487094E+03 d E =-.567881E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499470632433E+03 0.15769E-01 -0.89915E+00 1792 0.679E+00 0.662E-01 DAV: 2 -0.499489189130E+03 -0.18557E-01 -0.20100E-01 2208 0.931E-01 0.382E-01 DAV: 3 -0.499488224078E+03 0.96505E-03 -0.41068E-03 2240 0.162E-01 0.235E-01 DAV: 4 -0.499487978046E+03 0.24603E-03 -0.33460E-03 2144 0.142E-01 0.869E-02 DAV: 5 -0.499487972906E+03 0.51397E-05 -0.70831E-04 2304 0.683E-02 0.337E-02 DAV: 6 -0.499487991418E+03 -0.18512E-04 -0.76645E-05 2048 0.195E-02 0.201E-02 DAV: 7 -0.499487999882E+03 -0.84644E-05 -0.60607E-06 1440 0.784E-03 296 F= -.50487451E+03 E0= -.50487451E+03 d E =-.924636E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499480594703E+03 0.73967E-02 -0.72078E+00 1792 0.604E+00 0.690E-01 DAV: 2 -0.499495662276E+03 -0.15068E-01 -0.16769E-01 2272 0.851E-01 0.425E-01 DAV: 3 -0.499494897783E+03 0.76449E-03 -0.41381E-03 2272 0.152E-01 0.228E-01 DAV: 4 -0.499494749862E+03 0.14792E-03 -0.19443E-03 2176 0.102E-01 0.931E-02 DAV: 5 -0.499494773043E+03 -0.23182E-04 -0.36124E-04 2336 0.517E-02 0.295E-02 DAV: 6 -0.499494793252E+03 -0.20209E-04 -0.46282E-05 2080 0.154E-02 0.144E-02 DAV: 7 -0.499494805732E+03 -0.12479E-04 -0.63178E-06 1408 0.728E-03 0.552E-03 DAV: 8 -0.499494815768E+03 -0.10036E-04 -0.36307E-06 1472 0.459E-03 0.175E-03 DAV: 9 -0.499494820910E+03 -0.51423E-05 -0.79425E-07 1472 0.217E-03 297 F= -.50488262E+03 E0= -.50488262E+03 d E =-.810715E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499480906150E+03 0.13910E-01 -0.81590E+00 1792 0.643E+00 0.732E-01 DAV: 2 -0.499498063925E+03 -0.17158E-01 -0.19110E-01 2272 0.906E-01 0.457E-01 DAV: 3 -0.499497220531E+03 0.84339E-03 -0.46515E-03 2272 0.160E-01 0.255E-01 DAV: 4 -0.499497026454E+03 0.19408E-03 -0.22979E-03 2112 0.112E-01 0.105E-01 DAV: 5 -0.499497047104E+03 -0.20649E-04 -0.43036E-04 2368 0.562E-02 0.349E-02 DAV: 6 -0.499497067874E+03 -0.20770E-04 -0.55115E-05 2048 0.169E-02 0.155E-02 DAV: 7 -0.499497078022E+03 -0.10148E-04 -0.73040E-06 1440 0.785E-03 0.597E-03 DAV: 8 -0.499497086786E+03 -0.87641E-05 -0.44009E-06 1504 0.518E-03 298 F= -.50488630E+03 E0= -.50488630E+03 d E =-.117938E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.499492527500E+03 0.45505E-02 -0.50145E+00 1792 0.499E+00 0.508E-01 DAV: 2 -0.499503017399E+03 -0.10490E-01 -0.11379E-01 2272 0.684E-01 0.311E-01 DAV: 3 -0.499502482985E+03 0.53441E-03 -0.22122E-03 2272 0.112E-01 0.185E-01 DAV: 4 -0.499502350118E+03 0.13287E-03 -0.18527E-03 2176 0.104E-01 0.653E-02 DAV: 5 -0.499502352955E+03 -0.28367E-05 -0.35755E-04 2304 0.479E-02 0.273E-02 DAV: 6 -0.499502363548E+03 -0.10593E-04 -0.38807E-05 2176 0.137E-02 0.140E-02 DAV: 7 -0.499502368406E+03 -0.48580E-05 -0.47372E-06 1408 0.652E-03 299 F= -.50489297E+03 E0= -.50489297E+03 d E =-.666762E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.499420992057E+03 0.81371E-01 -0.45178E+01 1792 0.150E+01 0.155E+00 DAV: 2 -0.499516051183E+03 -0.95059E-01 -0.10260E+00 2240 0.206E+00 0.904E-01 DAV: 3 -0.499511083829E+03 0.49674E-02 -0.20414E-02 2272 0.344E-01 0.514E-01 DAV: 4 -0.499510042788E+03 0.10410E-02 -0.14447E-02 2144 0.286E-01 0.189E-01 DAV: 5 -0.499510080845E+03 -0.38057E-04 -0.28146E-03 2304 0.136E-01 0.666E-02 DAV: 6 -0.499510151821E+03 -0.70977E-04 -0.29482E-04 2144 0.375E-02 0.390E-02 DAV: 7 -0.499510175857E+03 -0.24036E-04 -0.31366E-05 1920 0.165E-02 0.165E-02 DAV: 8 -0.499510203036E+03 -0.27179E-04 -0.16921E-05 1792 0.104E-02 0.501E-03 DAV: 9 -0.499510216843E+03 -0.13807E-04 -0.22995E-06 1472 0.384E-03 0.293E-03 DAV: 10 -0.499510234474E+03 -0.17631E-04 -0.13154E-06 1408 0.269E-03 0.138E-03 DAV: 11 -0.499510248429E+03 -0.13955E-04 -0.12198E-06 1408 0.255E-03 0.103E-03 DAV: 12 -0.499510260779E+03 -0.12350E-04 -0.10204E-06 1408 0.226E-03 0.938E-04 DAV: 13 -0.499510265792E+03 -0.50137E-05 -0.36225E-07 1472 0.107E-03 300 F= -.50490518E+03 E0= -.50490518E+03 d E =-.188785E-01