N E dE d eps ncg rms rms(c) DAV: 1 0.382707563960E+04 0.38271E+04 -0.26580E+05 4352 0.131E+03 DAV: 2 -0.426644740818E+03 -0.42537E+04 -0.41672E+04 5184 0.338E+02 DAV: 3 -0.744315027024E+03 -0.31767E+03 -0.31641E+03 5568 0.100E+02 DAV: 4 -0.750883016917E+03 -0.65680E+01 -0.65527E+01 6016 0.140E+01 DAV: 5 -0.751255573935E+03 -0.37256E+00 -0.37245E+00 6752 0.213E+00 0.133E+02 DAV: 6 -0.673516319393E+03 0.77739E+02 -0.32189E+02 5056 0.289E+01 0.765E+01 DAV: 7 -0.673691637250E+03 -0.17532E+00 -0.21732E+01 5248 0.760E+00 0.125E+01 DAV: 8 -0.673536195874E+03 0.15544E+00 -0.13065E+00 5664 0.221E+00 0.400E+00 DAV: 9 -0.673537619515E+03 -0.14236E-02 -0.24080E-01 5216 0.109E+00 0.106E+00 DAV: 10 -0.673545109647E+03 -0.74901E-02 -0.57408E-02 5856 0.563E-01 0.537E-01 DAV: 11 -0.673547703854E+03 -0.25942E-02 -0.11917E-02 5024 0.250E-01 0.253E-01 DAV: 12 -0.673547971973E+03 -0.26812E-03 -0.41238E-03 4992 0.154E-01 0.832E-02 DAV: 13 -0.673547998484E+03 -0.26512E-04 -0.14698E-03 5248 0.951E-02 0.563E-02 DAV: 14 -0.673548011571E+03 -0.13087E-04 -0.54065E-04 5120 0.544E-02 0.321E-02 DAV: 15 -0.673548006849E+03 0.47226E-05 -0.87732E-05 5696 0.221E-02 1 F= -.68569152E+03 E0= -.68569152E+03 d E =-.685692E+03 N E dE d eps ncg rms rms(c) DAV: 1 -0.671367065914E+03 0.21809E+01 -0.46848E+02 4480 0.408E+01 0.136E+01 DAV: 2 -0.672222839213E+03 -0.85577E+00 -0.15178E+01 5344 0.693E+00 0.982E+00 DAV: 3 -0.671989096420E+03 0.23374E+00 -0.79078E-01 5248 0.178E+00 0.647E+00 DAV: 4 -0.671905857665E+03 0.83239E-01 -0.30422E-01 5216 0.120E+00 0.172E+00 DAV: 5 -0.671900481486E+03 0.53762E-02 -0.87685E-02 5408 0.687E-01 0.551E-01 DAV: 6 -0.671900108345E+03 0.37314E-03 -0.22037E-02 5120 0.269E-01 0.320E-01 DAV: 7 -0.671899090921E+03 0.10174E-02 -0.32116E-03 5248 0.126E-01 0.147E-01 DAV: 8 -0.671898956646E+03 0.13427E-03 -0.86166E-04 5024 0.611E-02 0.434E-02 DAV: 9 -0.671898921508E+03 0.35139E-04 -0.16430E-04 5696 0.338E-02 0.260E-02 DAV: 10 -0.671898922061E+03 -0.55364E-06 -0.62532E-05 5216 0.165E-02 2 F= -.68404612E+03 E0= -.68404612E+03 d E =0.164540E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.673993226501E+03 -0.20943E+01 -0.19802E+02 4224 0.266E+01 0.115E+01 DAV: 2 -0.674260741196E+03 -0.26751E+00 -0.60646E+00 5376 0.450E+00 0.508E+00 DAV: 3 -0.674160531483E+03 0.10021E+00 -0.47923E-01 5216 0.148E+00 0.198E+00 DAV: 4 -0.674148991673E+03 0.11540E-01 -0.10720E-01 5312 0.631E-01 0.520E-01 DAV: 5 -0.674147856433E+03 0.11352E-02 -0.10383E-02 5312 0.228E-01 0.280E-01 DAV: 6 -0.674147431858E+03 0.42457E-03 -0.21320E-03 5088 0.930E-02 0.106E-01 DAV: 7 -0.674147264697E+03 0.16716E-03 -0.41919E-04 5312 0.548E-02 0.439E-02 DAV: 8 -0.674147223508E+03 0.41189E-04 -0.18505E-04 5376 0.348E-02 0.235E-02 DAV: 9 -0.674147211767E+03 0.11741E-04 -0.73804E-05 5312 0.229E-02 0.115E-02 DAV: 10 -0.674147211594E+03 0.17291E-06 -0.13378E-05 3936 0.907E-03 3 F= -.68629206E+03 E0= -.68629206E+03 d E =-.600532E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.674384220561E+03 -0.23701E+00 -0.11705E+02 4224 0.203E+01 0.631E+00 DAV: 2 -0.674601814025E+03 -0.21759E+00 -0.30603E+00 5216 0.306E+00 0.392E+00 DAV: 3 -0.674555305575E+03 0.46508E-01 -0.94473E-02 5344 0.703E-01 0.251E+00 DAV: 4 -0.674545606362E+03 0.96992E-02 -0.72330E-02 5184 0.563E-01 0.478E-01 DAV: 5 -0.674545328835E+03 0.27753E-03 -0.12766E-02 5184 0.256E-01 0.215E-01 DAV: 6 -0.674545313997E+03 0.14838E-04 -0.22588E-03 5056 0.871E-02 0.119E-01 DAV: 7 -0.674545224797E+03 0.89200E-04 -0.34880E-04 5344 0.442E-02 0.635E-02 DAV: 8 -0.674545206567E+03 0.18230E-04 -0.10687E-04 5088 0.251E-02 0.167E-02 DAV: 9 -0.674545206112E+03 0.45527E-06 -0.31851E-05 5120 0.120E-02 4 F= -.68668171E+03 E0= -.68668171E+03 d E =-.389659E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.674577097831E+03 -0.31891E-01 -0.67075E+00 4288 0.485E+00 0.162E+00 DAV: 2 -0.674588467721E+03 -0.11370E-01 -0.16377E-01 5184 0.720E-01 0.849E-01 DAV: 3 -0.674585796071E+03 0.26716E-02 -0.61559E-03 5344 0.185E-01 0.412E-01 DAV: 4 -0.674585535277E+03 0.26079E-03 -0.30092E-03 5184 0.110E-01 0.988E-02 DAV: 5 -0.674585517544E+03 0.17733E-04 -0.47548E-04 5408 0.490E-02 0.410E-02 DAV: 6 -0.674585518838E+03 -0.12943E-05 -0.66364E-05 4992 0.157E-02 5 F= -.68672403E+03 E0= -.68672403E+03 d E =-.431971E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.674722379762E+03 -0.13686E+00 -0.81634E+01 4224 0.169E+01 0.537E+00 DAV: 2 -0.674847107966E+03 -0.12473E+00 -0.19765E+00 5184 0.254E+00 0.259E+00 DAV: 3 -0.674821744360E+03 0.25364E-01 -0.72717E-02 5312 0.613E-01 0.130E+00 DAV: 4 -0.674817800290E+03 0.39441E-02 -0.31387E-02 5184 0.362E-01 0.265E-01 DAV: 5 -0.674817503387E+03 0.29690E-03 -0.54234E-03 5344 0.169E-01 0.143E-01 DAV: 6 -0.674817498194E+03 0.51931E-05 -0.90778E-04 5120 0.562E-02 0.750E-02 DAV: 7 -0.674817451583E+03 0.46612E-04 -0.19859E-04 5120 0.323E-02 0.292E-02 DAV: 8 -0.674817444126E+03 0.74565E-05 -0.41402E-05 5248 0.202E-02 6 F= -.68697600E+03 E0= -.68697600E+03 d E =-.251970E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.674838212208E+03 -0.20761E-01 -0.37819E+00 4320 0.363E+00 0.109E+00 DAV: 2 -0.674843947787E+03 -0.57356E-02 -0.88384E-02 5184 0.537E-01 0.600E-01 DAV: 3 -0.674842815887E+03 0.11319E-02 -0.30663E-03 5312 0.124E-01 0.355E-01 DAV: 4 -0.674842567678E+03 0.24821E-03 -0.16282E-03 5184 0.839E-02 0.612E-02 DAV: 5 -0.674842554510E+03 0.13169E-04 -0.29589E-04 5600 0.387E-02 0.330E-02 DAV: 6 -0.674842551381E+03 0.31283E-05 -0.54289E-05 5056 0.137E-02 7 F= -.68699684E+03 E0= -.68699684E+03 d E =-.272816E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.674898464134E+03 -0.55910E-01 -0.19567E+01 4224 0.843E+00 0.355E+00 DAV: 2 -0.674938567196E+03 -0.40103E-01 -0.56769E-01 5376 0.140E+00 0.173E+00 DAV: 3 -0.674929714395E+03 0.88528E-02 -0.25556E-02 5248 0.366E-01 0.770E-01 DAV: 4 -0.674928801035E+03 0.91336E-03 -0.80349E-03 5280 0.192E-01 0.188E-01 DAV: 5 -0.674928675898E+03 0.12514E-03 -0.16017E-03 5728 0.940E-02 0.782E-02 DAV: 6 -0.674928655237E+03 0.20660E-04 -0.22692E-04 5536 0.310E-02 0.425E-02 DAV: 7 -0.674928637404E+03 0.17834E-04 -0.91322E-05 5216 0.208E-02 0.134E-02 DAV: 8 -0.674928631421E+03 0.59832E-05 -0.16452E-05 3872 0.138E-02 8 F= -.68710558E+03 E0= -.68710558E+03 d E =-.108741E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.674929564514E+03 -0.92711E-03 -0.26031E-02 4608 0.307E-01 0.127E-01 DAV: 2 -0.674929618420E+03 -0.53906E-04 -0.77280E-04 5376 0.515E-02 0.669E-02 DAV: 3 -0.674929608299E+03 0.10121E-04 -0.33927E-05 4992 0.129E-02 0.327E-02 DAV: 4 -0.674929607949E+03 0.35008E-06 -0.10656E-05 3264 0.701E-03 9 F= -.68710575E+03 E0= -.68710575E+03 d E =-.108909E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.675030320272E+03 -0.10071E+00 -0.65602E+00 4224 0.472E+00 0.997E-01 DAV: 2 -0.675041197800E+03 -0.10878E-01 -0.15244E-01 5184 0.692E-01 0.380E-01 DAV: 3 -0.675039698740E+03 0.14991E-02 -0.36710E-03 5376 0.139E-01 0.211E-01 DAV: 4 -0.675039441579E+03 0.25716E-03 -0.23243E-03 5184 0.102E-01 0.720E-02 DAV: 5 -0.675039424073E+03 0.17506E-04 -0.39514E-04 5280 0.479E-02 0.336E-02 DAV: 6 -0.675039423188E+03 0.88487E-06 -0.62916E-05 5152 0.156E-02 10 F= -.68721352E+03 E0= -.68721352E+03 d E =-.107767E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.675168312384E+03 -0.12889E+00 -0.59129E+01 4224 0.142E+01 0.299E+00 DAV: 2 -0.675268757873E+03 -0.10045E+00 -0.13773E+00 5184 0.207E+00 0.114E+00 DAV: 3 -0.675255063838E+03 0.13694E-01 -0.34070E-02 5376 0.420E-01 0.630E-01 DAV: 4 -0.675252792641E+03 0.22712E-02 -0.20637E-02 5184 0.303E-01 0.218E-01 DAV: 5 -0.675252657451E+03 0.13519E-03 -0.35707E-03 5248 0.144E-01 0.101E-01 DAV: 6 -0.675252665432E+03 -0.79810E-05 -0.55379E-04 5152 0.463E-02 0.620E-02 DAV: 7 -0.675252627418E+03 0.38014E-04 -0.74213E-05 5504 0.260E-02 0.305E-02 DAV: 8 -0.675252611478E+03 0.15940E-04 -0.35033E-05 5088 0.179E-02 0.934E-03 DAV: 9 -0.675252607554E+03 0.39236E-05 -0.12637E-05 3776 0.979E-03 11 F= -.68741815E+03 E0= -.68741815E+03 d E =-.312402E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.674788767412E+03 0.46384E+00 -0.23666E+02 4224 0.282E+01 0.596E+00 DAV: 2 -0.675214516818E+03 -0.42575E+00 -0.56340E+00 5184 0.415E+00 0.229E+00 DAV: 3 -0.675157612161E+03 0.56905E-01 -0.14352E-01 5376 0.854E-01 0.127E+00 DAV: 4 -0.675148202633E+03 0.94095E-02 -0.81781E-02 5184 0.597E-01 0.450E-01 DAV: 5 -0.675147642298E+03 0.56033E-03 -0.14290E-02 5280 0.291E-01 0.200E-01 DAV: 6 -0.675147702238E+03 -0.59940E-04 -0.22023E-03 5184 0.929E-02 0.123E-01 DAV: 7 -0.675147570463E+03 0.13177E-03 -0.33365E-04 6016 0.531E-02 0.610E-02 DAV: 8 -0.675147514675E+03 0.55789E-04 -0.13013E-04 5184 0.346E-02 0.193E-02 DAV: 9 -0.675147502308E+03 0.12366E-04 -0.56954E-05 5152 0.186E-02 0.126E-02 DAV: 10 -0.675147495269E+03 0.70392E-05 -0.49901E-06 3456 0.874E-03 12 F= -.68728661E+03 E0= -.68728661E+03 d E =-.180864E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.675137464107E+03 0.10038E-01 -0.11038E+02 4224 0.192E+01 0.412E+00 DAV: 2 -0.675326223184E+03 -0.18876E+00 -0.26726E+00 5184 0.286E+00 0.156E+00 DAV: 3 -0.675301489627E+03 0.24734E-01 -0.58645E-02 5408 0.563E-01 0.918E-01 DAV: 4 -0.675296909402E+03 0.45802E-02 -0.46385E-02 5184 0.460E-01 0.328E-01 DAV: 5 -0.675296585835E+03 0.32357E-03 -0.80499E-03 5376 0.214E-01 0.155E-01 DAV: 6 -0.675296662774E+03 -0.76939E-04 -0.13795E-03 5056 0.702E-02 0.900E-02 DAV: 7 -0.675296612406E+03 0.50368E-04 -0.15075E-04 6016 0.386E-02 0.401E-02 DAV: 8 -0.675296601094E+03 0.11312E-04 -0.76588E-05 5184 0.234E-02 0.137E-02 DAV: 9 -0.675296595416E+03 0.56780E-05 -0.20355E-05 4352 0.112E-02 13 F= -.68745487E+03 E0= -.68745487E+03 d E =-.349116E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.675382468630E+03 -0.85868E-01 -0.57100E+00 4224 0.433E+00 0.110E+00 DAV: 2 -0.675391919603E+03 -0.94510E-02 -0.14218E-01 5248 0.667E-01 0.565E-01 DAV: 3 -0.675390321025E+03 0.15986E-02 -0.42103E-03 5376 0.144E-01 0.319E-01 DAV: 4 -0.675389934554E+03 0.38647E-03 -0.20917E-03 5184 0.968E-02 0.867E-02 DAV: 5 -0.675389911783E+03 0.22771E-04 -0.34359E-04 5248 0.467E-02 0.338E-02 DAV: 6 -0.675389903839E+03 0.79442E-05 -0.73670E-05 5184 0.169E-02 14 F= -.68754062E+03 E0= -.68754062E+03 d E =-.857582E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.675452564761E+03 -0.62653E-01 -0.36646E+01 4224 0.110E+01 0.271E+00 DAV: 2 -0.675514773846E+03 -0.62209E-01 -0.92372E-01 5248 0.171E+00 0.144E+00 DAV: 3 -0.675504582039E+03 0.10192E-01 -0.27144E-02 5376 0.365E-01 0.818E-01 DAV: 4 -0.675501990015E+03 0.25920E-02 -0.13783E-02 5184 0.248E-01 0.231E-01 DAV: 5 -0.675501846424E+03 0.14359E-03 -0.22593E-03 5248 0.121E-01 0.862E-02 DAV: 6 -0.675501808467E+03 0.37957E-04 -0.51227E-04 5216 0.446E-02 0.481E-02 DAV: 7 -0.675501767443E+03 0.41024E-04 -0.88085E-05 5248 0.243E-02 0.202E-02 DAV: 8 -0.675501752363E+03 0.15080E-04 -0.28310E-05 5088 0.168E-02 0.900E-03 DAV: 9 -0.675501750955E+03 0.14088E-05 -0.12171E-05 3648 0.853E-03 15 F= -.68763256E+03 E0= -.68763256E+03 d E =-.177697E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.675521512294E+03 -0.19760E-01 -0.98813E-01 4416 0.188E+00 0.430E-01 DAV: 2 -0.675521850499E+03 -0.33821E-03 -0.25257E-02 5376 0.301E-01 0.225E-01 DAV: 3 -0.675521449195E+03 0.40130E-03 -0.14030E-03 5184 0.786E-02 0.115E-01 DAV: 4 -0.675521351514E+03 0.97681E-04 -0.36297E-04 5376 0.404E-02 0.467E-02 DAV: 5 -0.675521344140E+03 0.73738E-05 -0.64433E-05 5248 0.219E-02 16 F= -.68766046E+03 E0= -.68766046E+03 d E =-.278965E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.675535273577E+03 -0.13922E-01 -0.88924E+00 4224 0.563E+00 0.129E+00 DAV: 2 -0.675538405256E+03 -0.31317E-02 -0.22919E-01 5376 0.904E-01 0.678E-01 DAV: 3 -0.675534816096E+03 0.35892E-02 -0.12043E-02 5184 0.232E-01 0.350E-01 DAV: 4 -0.675533851293E+03 0.96480E-03 -0.33078E-03 5376 0.122E-01 0.141E-01 DAV: 5 -0.675533753461E+03 0.97832E-04 -0.60611E-04 5632 0.670E-02 0.547E-02 DAV: 6 -0.675533764765E+03 -0.11305E-04 -0.21928E-04 5312 0.314E-02 0.349E-02 DAV: 7 -0.675533761206E+03 0.35593E-05 -0.27405E-05 4992 0.123E-02 17 F= -.68769765E+03 E0= -.68769765E+03 d E =-.650821E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.675551989895E+03 -0.18225E-01 -0.13667E+00 4288 0.225E+00 0.728E-01 DAV: 2 -0.675550835896E+03 0.11540E-02 -0.36744E-02 5344 0.358E-01 0.221E-01 DAV: 3 -0.675550091045E+03 0.74485E-03 -0.25699E-03 5152 0.103E-01 0.113E-01 DAV: 4 -0.675549960947E+03 0.13010E-03 -0.52594E-04 5568 0.491E-02 0.531E-02 DAV: 5 -0.675549956959E+03 0.39885E-05 -0.90851E-05 5600 0.218E-02 18 F= -.68772699E+03 E0= -.68772699E+03 d E =-.293460E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.675570568047E+03 -0.20607E-01 -0.12286E+01 4224 0.675E+00 0.219E+00 DAV: 2 -0.675560118802E+03 0.10449E-01 -0.33356E-01 5344 0.108E+00 0.664E-01 DAV: 3 -0.675553507047E+03 0.66118E-02 -0.22904E-02 5184 0.308E-01 0.340E-01 DAV: 4 -0.675552270130E+03 0.12369E-02 -0.48201E-03 5568 0.150E-01 0.157E-01 DAV: 5 -0.675552178212E+03 0.91918E-04 -0.81768E-04 5792 0.652E-02 0.792E-02 DAV: 6 -0.675552186466E+03 -0.82546E-05 -0.22113E-04 5344 0.327E-02 0.515E-02 DAV: 7 -0.675552186775E+03 -0.30854E-06 -0.36510E-05 5312 0.169E-02 19 F= -.68776858E+03 E0= -.68776858E+03 d E =-.709314E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.675567616656E+03 -0.15430E-01 -0.19538E+00 4288 0.259E+00 0.585E-01 DAV: 2 -0.675568455549E+03 -0.83889E-03 -0.49901E-02 5344 0.404E-01 0.274E-01 DAV: 3 -0.675567792302E+03 0.66325E-03 -0.22420E-03 5376 0.946E-02 0.135E-01 DAV: 4 -0.675567703378E+03 0.88924E-04 -0.62730E-04 5280 0.525E-02 0.527E-02 DAV: 5 -0.675567712455E+03 -0.90772E-05 -0.95265E-05 5696 0.231E-02 20 F= -.68779623E+03 E0= -.68779623E+03 d E =-.276520E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.675565725926E+03 0.19775E-02 -0.96246E+00 4224 0.575E+00 0.131E+00 DAV: 2 -0.675569926985E+03 -0.42011E-02 -0.24817E-01 5344 0.900E-01 0.608E-01 DAV: 3 -0.675566719252E+03 0.32077E-02 -0.10714E-02 5376 0.208E-01 0.300E-01 DAV: 4 -0.675566253745E+03 0.46551E-03 -0.31838E-03 5248 0.118E-01 0.116E-01 DAV: 5 -0.675566276496E+03 -0.22751E-04 -0.47307E-04 5856 0.513E-02 0.511E-02 DAV: 6 -0.675566288083E+03 -0.11587E-04 -0.99624E-05 5408 0.208E-02 0.231E-02 DAV: 7 -0.675566288733E+03 -0.65005E-06 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DAV: 2 -0.675624975414E+03 -0.37499E-02 -0.53494E-02 5344 0.423E-01 0.280E-01 DAV: 3 -0.675624336956E+03 0.63846E-03 -0.14762E-03 5504 0.895E-02 0.156E-01 DAV: 4 -0.675624196292E+03 0.14066E-03 -0.92047E-04 5184 0.651E-02 0.448E-02 DAV: 5 -0.675624186053E+03 0.10239E-04 -0.16064E-04 5312 0.322E-02 0.204E-02 DAV: 6 -0.675624182235E+03 0.38180E-05 -0.30473E-05 5024 0.111E-02 28 F= -.68798306E+03 E0= -.68798306E+03 d E =-.220516E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.675637857902E+03 -0.13672E-01 -0.91861E+00 4224 0.559E+00 0.106E+00 DAV: 2 -0.675651846417E+03 -0.13989E-01 -0.19968E-01 5344 0.819E-01 0.542E-01 DAV: 3 -0.675649436691E+03 0.24097E-02 -0.56631E-03 5504 0.176E-01 0.301E-01 DAV: 4 -0.675648878360E+03 0.55833E-03 -0.33513E-03 5184 0.128E-01 0.859E-02 DAV: 5 -0.675648843449E+03 0.34911E-04 -0.61954E-04 5280 0.637E-02 0.406E-02 DAV: 6 -0.675648828170E+03 0.15279E-04 -0.11985E-04 5152 0.227E-02 0.242E-02 DAV: 7 -0.675648810608E+03 0.17562E-04 -0.20764E-05 4416 0.141E-02 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DAV: 7 -0.675873178385E+03 0.27945E-05 -0.10247E-05 3488 0.913E-03 42 F= -.68817000E+03 E0= -.68817000E+03 d E =-.271525E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.675878747863E+03 -0.55667E-02 -0.35836E+00 4224 0.352E+00 0.570E-01 DAV: 2 -0.675884450810E+03 -0.57029E-02 -0.77519E-02 5216 0.503E-01 0.360E-01 DAV: 3 -0.675883634589E+03 0.81622E-03 -0.19539E-03 5472 0.102E-01 0.208E-01 DAV: 4 -0.675883450203E+03 0.18439E-03 -0.14177E-03 5184 0.786E-02 0.582E-02 DAV: 5 -0.675883444522E+03 0.56812E-05 -0.21959E-04 5312 0.369E-02 0.236E-02 DAV: 6 -0.675883447519E+03 -0.29971E-05 -0.46955E-05 4992 0.127E-02 43 F= -.68818395E+03 E0= -.68818395E+03 d E =-.139445E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.675875419556E+03 0.80250E-02 -0.91878E+00 4224 0.563E+00 0.916E-01 DAV: 2 -0.675889997649E+03 -0.14578E-01 -0.19791E-01 5216 0.804E-01 0.575E-01 DAV: 3 -0.675887913290E+03 0.20844E-02 -0.49843E-03 5504 0.164E-01 0.331E-01 DAV: 4 -0.675887453862E+03 0.45943E-03 -0.35701E-03 5184 0.125E-01 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-0.41725E-05 4992 0.122E-02 49 F= -.68825327E+03 E0= -.68825327E+03 d E =-.134188E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.675882949181E+03 0.28231E-01 -0.20857E+01 4224 0.849E+00 0.119E+00 DAV: 2 -0.675921313425E+03 -0.38364E-01 -0.46058E-01 5088 0.121E+00 0.667E-01 DAV: 3 -0.675918257301E+03 0.30561E-02 -0.93966E-03 5504 0.217E-01 0.413E-01 DAV: 4 -0.675917626291E+03 0.63101E-03 -0.74492E-03 4992 0.192E-01 0.133E-01 DAV: 5 -0.675917642112E+03 -0.15821E-04 -0.11397E-03 5376 0.826E-02 0.620E-02 DAV: 6 -0.675917666931E+03 -0.24819E-04 -0.33846E-04 4992 0.346E-02 0.341E-02 DAV: 7 -0.675917661906E+03 0.50251E-05 -0.37319E-05 4864 0.170E-02 50 F= -.68827623E+03 E0= -.68827623E+03 d E =-.363734E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.675905091856E+03 0.12575E-01 -0.43932E+00 4224 0.390E+00 0.543E-01 DAV: 2 -0.675913159218E+03 -0.80674E-02 -0.96865E-02 5088 0.554E-01 0.307E-01 DAV: 3 -0.675912503135E+03 0.65608E-03 -0.20205E-03 5504 0.999E-02 0.190E-01 DAV: 4 -0.675912366972E+03 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DAV: 1 -0.675940454837E+03 0.20084E-02 -0.35279E+00 4224 0.345E+00 0.692E-01 DAV: 2 -0.675947875402E+03 -0.74206E-02 -0.89263E-02 5120 0.541E-01 0.317E-01 DAV: 3 -0.675947289802E+03 0.58560E-03 -0.21280E-03 5472 0.106E-01 0.166E-01 DAV: 4 -0.675947187167E+03 0.10264E-03 -0.10719E-03 5152 0.681E-02 0.587E-02 DAV: 5 -0.675947187789E+03 -0.62196E-06 -0.16684E-04 5600 0.346E-02 0.246E-02 DAV: 6 -0.675947190321E+03 -0.25323E-05 -0.33682E-05 4960 0.113E-02 55 F= -.68832505E+03 E0= -.68832505E+03 d E =-.217346E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.675956806029E+03 -0.96182E-02 -0.24616E+00 4224 0.291E+00 0.542E-01 DAV: 2 -0.675961681613E+03 -0.48756E-02 -0.57263E-02 5024 0.429E-01 0.276E-01 DAV: 3 -0.675961347980E+03 0.33363E-03 -0.10997E-03 5568 0.713E-02 0.169E-01 DAV: 4 -0.675961289814E+03 0.58165E-04 -0.10886E-03 5024 0.739E-02 0.413E-02 DAV: 5 -0.675961286436E+03 0.33785E-05 -0.18288E-04 5280 0.291E-02 0.293E-02 DAV: 6 -0.675961282083E+03 0.43528E-05 -0.62182E-05 4992 0.154E-02 56 F= -.68833852E+03 E0= -.68833852E+03 d E =-.134742E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.675940248633E+03 0.21038E-01 -0.22123E+01 4224 0.871E+00 0.164E+00 DAV: 2 -0.675984049547E+03 -0.43801E-01 -0.51310E-01 5024 0.129E+00 0.829E-01 DAV: 3 -0.675980986298E+03 0.30632E-02 -0.99872E-03 5568 0.215E-01 0.502E-01 DAV: 4 -0.675980451564E+03 0.53473E-03 -0.95131E-03 5088 0.217E-01 0.124E-01 DAV: 5 -0.675980432292E+03 0.19272E-04 -0.15698E-03 5280 0.858E-02 0.849E-02 DAV: 6 -0.675980405552E+03 0.26740E-04 -0.54400E-04 5024 0.453E-02 0.418E-02 DAV: 7 -0.675980393012E+03 0.12540E-04 -0.51601E-05 5280 0.176E-02 0.248E-02 DAV: 8 -0.675980392027E+03 0.98469E-06 -0.12891E-05 3648 0.778E-03 57 F= -.68835575E+03 E0= -.68835575E+03 d E =-.307064E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.675989315996E+03 -0.89230E-02 -0.57278E+00 4224 0.434E+00 0.733E-01 DAV: 2 -0.676000325176E+03 -0.11009E-01 -0.13528E-01 4992 0.662E-01 0.403E-01 DAV: 3 -0.675999446325E+03 0.87885E-03 -0.32574E-03 5568 0.130E-01 0.238E-01 DAV: 4 -0.675999263128E+03 0.18320E-03 -0.19093E-03 5152 0.917E-02 0.815E-02 DAV: 5 -0.675999262845E+03 0.28267E-06 -0.28829E-04 5376 0.431E-02 0.322E-02 DAV: 6 -0.675999267412E+03 -0.45664E-05 -0.72442E-05 4992 0.164E-02 58 F= -.68837317E+03 E0= -.68837317E+03 d E =-.174207E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.675997756080E+03 0.15068E-02 -0.57886E+00 4224 0.437E+00 0.738E-01 DAV: 2 -0.676008921089E+03 -0.11165E-01 -0.13708E-01 4992 0.666E-01 0.404E-01 DAV: 3 -0.676008045619E+03 0.87547E-03 -0.33087E-03 5568 0.131E-01 0.238E-01 DAV: 4 -0.676007864081E+03 0.18154E-03 -0.19051E-03 5152 0.917E-02 0.818E-02 DAV: 5 -0.676007863481E+03 0.60040E-06 -0.28973E-04 5344 0.433E-02 0.323E-02 DAV: 6 -0.676007867923E+03 -0.44417E-05 -0.74652E-05 4992 0.168E-02 59 F= -.68838031E+03 E0= -.68838031E+03 d E =-.245555E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.676012257927E+03 -0.43944E-02 -0.77102E+00 4224 0.505E+00 0.100E+00 DAV: 2 -0.676026665465E+03 -0.14408E-01 -0.17652E-01 5184 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rms(c) DAV: 1 -0.676067126706E+03 0.13968E-01 -0.66535E+00 4224 0.492E+00 0.894E-01 DAV: 2 -0.676079256972E+03 -0.12130E-01 -0.15618E-01 5280 0.727E-01 0.544E-01 DAV: 3 -0.676078201767E+03 0.10552E-02 -0.36696E-03 5568 0.138E-01 0.323E-01 DAV: 4 -0.676078044695E+03 0.15707E-03 -0.23441E-03 5216 0.103E-01 0.866E-02 DAV: 5 -0.676078053954E+03 -0.92591E-05 -0.41243E-04 5280 0.502E-02 0.385E-02 DAV: 6 -0.676078059150E+03 -0.51960E-05 -0.79090E-05 5280 0.166E-02 86 F= -.68864822E+03 E0= -.68864822E+03 d E =-.164848E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.676074459083E+03 0.35949E-02 -0.26827E+00 4288 0.306E+00 0.563E-01 DAV: 2 -0.676078779231E+03 -0.43201E-02 -0.62789E-02 5280 0.450E-01 0.247E-01 DAV: 3 -0.676078290626E+03 0.48861E-03 -0.15453E-03 5376 0.873E-02 0.142E-01 DAV: 4 -0.676078212512E+03 0.78113E-04 -0.81687E-04 5184 0.612E-02 0.476E-02 DAV: 5 -0.676078223152E+03 -0.10640E-04 -0.12852E-04 5344 0.272E-02 0.216E-02 DAV: 6 -0.676078226987E+03 -0.38350E-05 -0.22720E-05 4544 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-0.36538E-06 -0.35249E-05 4832 0.131E-02 93 F= -.68869102E+03 E0= -.68869102E+03 d E =-.495629E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.676084380159E+03 -0.11517E-02 -0.58545E+00 4224 0.454E+00 0.674E-01 DAV: 2 -0.676095456301E+03 -0.11076E-01 -0.12506E-01 5152 0.641E-01 0.364E-01 DAV: 3 -0.676094819936E+03 0.63637E-03 -0.21368E-03 5472 0.102E-01 0.222E-01 DAV: 4 -0.676094765754E+03 0.54182E-04 -0.18325E-03 5184 0.927E-02 0.515E-02 DAV: 5 -0.676094771347E+03 -0.55933E-05 -0.31844E-04 5152 0.392E-02 0.300E-02 DAV: 6 -0.676094771735E+03 -0.38779E-06 -0.51841E-05 5024 0.132E-02 94 F= -.68870266E+03 E0= -.68870266E+03 d E =-.165895E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.676059948400E+03 0.34823E-01 -0.23446E+01 4224 0.909E+00 0.135E+00 DAV: 2 -0.676104782954E+03 -0.44835E-01 -0.50599E-01 5152 0.129E+00 0.730E-01 DAV: 3 -0.676102192563E+03 0.25904E-02 -0.87436E-03 5472 0.206E-01 0.447E-01 DAV: 4 -0.676101947586E+03 0.24498E-03 -0.73524E-03 5184 0.186E-01 0.105E-01 DAV: 5 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DAV: 2 -0.676108640680E+03 -0.49884E-01 -0.55121E-01 5216 0.136E+00 0.744E-01 DAV: 3 -0.676106316632E+03 0.23240E-02 -0.97830E-03 5440 0.220E-01 0.447E-01 DAV: 4 -0.676106353158E+03 -0.36526E-04 -0.75272E-03 5184 0.186E-01 0.108E-01 DAV: 5 -0.676106371352E+03 -0.18194E-04 -0.12997E-03 5184 0.837E-02 0.584E-02 DAV: 6 -0.676106380900E+03 -0.95476E-05 -0.22536E-04 5184 0.277E-02 0.354E-02 DAV: 7 -0.676106373597E+03 0.73029E-05 -0.30468E-05 4704 0.144E-02 97 F= -.68873348E+03 E0= -.68873348E+03 d E =-.231984E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.676111112077E+03 -0.47312E-02 -0.25915E+00 4224 0.306E+00 0.538E-01 DAV: 2 -0.676115909103E+03 -0.47970E-02 -0.55514E-02 5280 0.440E-01 0.282E-01 DAV: 3 -0.676115661473E+03 0.24763E-03 -0.16027E-03 5408 0.907E-02 0.152E-01 DAV: 4 -0.676115685149E+03 -0.23676E-04 -0.58490E-04 5216 0.499E-02 0.518E-02 DAV: 5 -0.676115692652E+03 -0.75033E-05 -0.96415E-05 5920 0.276E-02 98 F= -.68874874E+03 E0= -.68874874E+03 d E =-.152534E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.676068139863E+03 0.47545E-01 -0.23325E+01 4224 0.917E+00 0.162E+00 DAV: 2 -0.676111515545E+03 -0.43376E-01 -0.50212E-01 5280 0.132E+00 0.845E-01 DAV: 3 -0.676109284147E+03 0.22314E-02 -0.14168E-02 5440 0.270E-01 0.454E-01 DAV: 4 -0.676109508815E+03 -0.22467E-03 -0.51938E-03 5184 0.149E-01 0.152E-01 DAV: 5 -0.676109570978E+03 -0.62163E-04 -0.86454E-04 5984 0.809E-02 0.495E-02 DAV: 6 -0.676109579951E+03 -0.89723E-05 -0.16546E-04 5248 0.250E-02 0.335E-02 DAV: 7 -0.676109569688E+03 0.10263E-04 -0.47075E-05 5024 0.158E-02 0.134E-02 DAV: 8 -0.676109567019E+03 0.26691E-05 -0.88665E-06 3680 0.113E-02 99 F= -.68876067E+03 E0= -.68876067E+03 d E =-.271846E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.676113278198E+03 -0.37085E-02 -0.16094E+00 4224 0.241E+00 0.424E-01 DAV: 2 -0.676116240571E+03 -0.29624E-02 -0.34257E-02 5280 0.346E-01 0.222E-01 DAV: 3 -0.676116093480E+03 0.14709E-03 -0.99204E-04 5440 0.710E-02 0.120E-01 DAV: 4 -0.676116111196E+03 -0.17717E-04 -0.34992E-04 5120 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rms(c) DAV: 1 -0.676456147191E+03 0.92373E-03 -0.15222E-01 4288 0.744E-01 0.243E-01 DAV: 2 -0.676456446419E+03 -0.29923E-03 -0.40275E-03 5376 0.116E-01 0.112E-01 DAV: 3 -0.676456400322E+03 0.46098E-04 -0.15134E-04 5568 0.275E-02 0.595E-02 DAV: 4 -0.676456394326E+03 0.59958E-05 -0.52879E-05 5376 0.160E-02 177 F= -.68919543E+03 E0= -.68919543E+03 d E =-.105099E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.676455681632E+03 0.71869E-03 -0.32034E-02 4608 0.341E-01 0.113E-01 DAV: 2 -0.676455745642E+03 -0.64010E-04 -0.85223E-04 5376 0.534E-02 0.525E-02 DAV: 3 -0.676455736041E+03 0.96014E-05 -0.31992E-05 4992 0.128E-02 178 F= -.68919556E+03 E0= -.68919556E+03 d E =-.118594E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.676457350524E+03 -0.16049E-02 -0.92641E-02 4352 0.570E-01 0.111E-01 DAV: 2 -0.676457511144E+03 -0.16062E-03 -0.21672E-03 5312 0.873E-02 0.620E-02 DAV: 3 -0.676457498742E+03 0.12402E-04 -0.67515E-05 5568 0.173E-02 0.354E-02 DAV: 4 -0.676457496217E+03 0.25252E-05 -0.32898E-05 4704 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