N E dE d eps ncg rms rms(c)
DAV: 1 0.524444659546E+03 0.52444E+03 -0.21526E+04 880 0.836E+02
DAV: 2 -0.127555710443E+01 -0.52572E+03 -0.50868E+03 1192 0.219E+02
DAV: 3 -0.125472329761E+03 -0.12420E+03 -0.12330E+03 896 0.116E+02
DAV: 4 -0.130228734036E+03 -0.47564E+01 -0.47249E+01 976 0.262E+01
DAV: 5 -0.130336788667E+03 -0.10805E+00 -0.10784E+00 1056 0.362E+00 0.210E+01
DAV: 6 -0.119106010731E+03 0.11231E+02 -0.42444E+01 952 0.252E+01 0.104E+01
DAV: 7 -0.118365746117E+03 0.74026E+00 -0.21636E+00 1024 0.757E+00 0.533E+00
DAV: 8 -0.118020770910E+03 0.34498E+00 -0.83239E-01 1024 0.457E+00 0.182E+00
DAV: 9 -0.117944357095E+03 0.76414E-01 -0.10404E-01 1048 0.164E+00 0.586E-01
DAV: 10 -0.117932441085E+03 0.11916E-01 -0.23576E-02 1000 0.697E-01 0.315E-01
DAV: 11 -0.117935017114E+03 -0.25760E-02 -0.16367E-02 936 0.760E-01 0.216E-01
DAV: 12 -0.117937385569E+03 -0.23685E-02 -0.47834E-03 1112 0.411E-01 0.122E-01
DAV: 13 -0.117942108124E+03 -0.47226E-02 -0.27958E-03 880 0.224E-01 0.943E-02
DAV: 14 -0.117945304608E+03 -0.31965E-02 -0.70566E-04 1096 0.161E-01 0.600E-02
DAV: 15 -0.117948930104E+03 -0.36255E-02 -0.69516E-04 928 0.978E-02 0.305E-02
DAV: 16 -0.117950143855E+03 -0.12138E-02 -0.20392E-04 968 0.696E-02 0.235E-02
DAV: 17 -0.117951848596E+03 -0.17047E-02 -0.19806E-04 952 0.480E-02 0.133E-02
DAV: 18 -0.117952270529E+03 -0.42193E-03 -0.51750E-05 896 0.287E-02 0.600E-03
DAV: 19 -0.117952525261E+03 -0.25473E-03 -0.36963E-05 848 0.177E-02 0.414E-03
DAV: 20 -0.117952608818E+03 -0.83557E-04 -0.11461E-05 704 0.930E-03 0.220E-03
DAV: 21 -0.117952628023E+03 -0.19205E-04 -0.37535E-06 680 0.610E-03 0.822E-04
DAV: 22 -0.117952634745E+03 -0.67224E-05 -0.13204E-06 688 0.336E-03
1 F= -.11838527E+03 E0= -.11836686E+03 d E =-.118385E+03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.116274754410E+03 0.16779E+01 -0.10736E+03 768 0.163E+02 0.108E+01
DAV: 2 -0.120377116216E+03 -0.41024E+01 -0.43378E+01 944 0.284E+01 0.594E+00
DAV: 3 -0.119866846878E+03 0.51027E+00 -0.13218E+00 1016 0.576E+00 0.307E+00
DAV: 4 -0.119731313281E+03 0.13553E+00 -0.56722E-01 1000 0.380E+00 0.104E+00
DAV: 5 -0.119729093569E+03 0.22197E-02 -0.75450E-02 944 0.133E+00 0.477E-01
DAV: 6 -0.119728943661E+03 0.14991E-03 -0.16754E-02 968 0.606E-01 0.149E-01
DAV: 7 -0.119729519050E+03 -0.57539E-03 -0.16585E-03 912 0.200E-01 0.107E-01
DAV: 8 -0.119730164607E+03 -0.64556E-03 -0.38195E-04 896 0.114E-01 0.501E-02
DAV: 9 -0.119730642367E+03 -0.47776E-03 -0.43681E-04 936 0.110E-01 0.252E-02
DAV: 10 -0.119731204248E+03 -0.56188E-03 -0.85500E-05 880 0.432E-02 0.244E-02
DAV: 11 -0.119731640558E+03 -0.43631E-03 -0.77494E-05 840 0.357E-02 0.122E-02
DAV: 12 -0.119731837161E+03 -0.19660E-03 -0.37392E-05 816 0.252E-02 0.629E-03
DAV: 13 -0.119731937151E+03 -0.99990E-04 -0.94380E-06 648 0.121E-02 0.331E-03
DAV: 14 -0.119732018247E+03 -0.81096E-04 -0.10876E-05 624 0.922E-03 0.238E-03
DAV: 15 -0.119732047607E+03 -0.29360E-04 -0.37309E-06 640 0.601E-03 0.136E-03
DAV: 16 -0.119732056648E+03 -0.90413E-05 -0.12620E-06 648 0.350E-03
2 F= -.12018737E+03 E0= -.12016872E+03 d E =-.180211E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.120000106699E+03 -0.26806E+00 -0.79173E+01 768 0.442E+01 0.292E+00
DAV: 2 -0.120128436388E+03 -0.12833E+00 -0.23749E+00 1016 0.669E+00 0.116E+00
DAV: 3 -0.120107899805E+03 0.20537E-01 -0.66690E-02 976 0.134E+00 0.620E-01
DAV: 4 -0.120102544406E+03 0.53554E-02 -0.31507E-02 992 0.880E-01 0.191E-01
DAV: 5 -0.120103243967E+03 -0.69956E-03 -0.64569E-03 960 0.388E-01 0.137E-01
DAV: 6 -0.120103363721E+03 -0.11975E-03 -0.23767E-04 936 0.777E-02 0.912E-02
DAV: 7 -0.120103664017E+03 -0.30030E-03 -0.32038E-04 888 0.873E-02 0.250E-02
DAV: 8 -0.120103793049E+03 -0.12903E-03 -0.65801E-05 960 0.413E-02 0.143E-02
DAV: 9 -0.120103904998E+03 -0.11195E-03 -0.31968E-05 896 0.258E-02 0.670E-03
DAV: 10 -0.120104046325E+03 -0.14133E-03 -0.18237E-05 792 0.168E-02 0.595E-03
DAV: 11 -0.120104120915E+03 -0.74589E-04 -0.10470E-05 704 0.113E-02 0.258E-03
DAV: 12 -0.120104156875E+03 -0.35960E-04 -0.62316E-06 672 0.824E-03 0.142E-03
DAV: 13 -0.120104172285E+03 -0.15410E-04 -0.22293E-06 696 0.485E-03 0.148E-03
DAV: 14 -0.120104185130E+03 -0.12845E-04 -0.19987E-06 632 0.557E-03 0.797E-04
DAV: 15 -0.120104190234E+03 -0.51033E-05 -0.10436E-06 672 0.335E-03
3 F= -.12055563E+03 E0= -.12053702E+03 d E =-.217036E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.120476496849E+03 -0.37231E+00 -0.36237E+02 768 0.945E+01 0.833E+00
DAV: 2 -0.121413637752E+03 -0.93714E+00 -0.10897E+01 984 0.147E+01 0.272E+00
DAV: 3 -0.121265083572E+03 0.14855E+00 -0.31023E-01 1008 0.310E+00 0.146E+00
DAV: 4 -0.121224147892E+03 0.40936E-01 -0.20622E-01 960 0.231E+00 0.424E-01
DAV: 5 -0.121226726272E+03 -0.25784E-02 -0.35232E-02 944 0.903E-01 0.245E-01
DAV: 6 -0.121226977263E+03 -0.25099E-03 -0.33380E-03 920 0.266E-01 0.143E-01
DAV: 7 -0.121227261499E+03 -0.28424E-03 -0.38431E-04 904 0.112E-01 0.815E-02
DAV: 8 -0.121227699001E+03 -0.43750E-03 -0.22788E-04 912 0.811E-02 0.274E-02
DAV: 9 -0.121228145285E+03 -0.44628E-03 -0.21912E-04 920 0.823E-02 0.249E-02
DAV: 10 -0.121228510392E+03 -0.36511E-03 -0.57191E-05 888 0.379E-02 0.209E-02
DAV: 11 -0.121228726279E+03 -0.21589E-03 -0.49400E-05 856 0.303E-02 0.920E-03
DAV: 12 -0.121228825055E+03 -0.98776E-04 -0.10060E-05 664 0.139E-02 0.366E-03
DAV: 13 -0.121228916415E+03 -0.91360E-04 -0.66856E-06 584 0.810E-03 0.217E-03
DAV: 14 -0.121228958205E+03 -0.41790E-04 -0.41062E-06 648 0.517E-03 0.289E-03
DAV: 15 -0.121228970834E+03 -0.12629E-04 -0.18825E-06 632 0.471E-03 0.962E-04
DAV: 16 -0.121228972546E+03 -0.17116E-05 -0.49439E-07 688 0.255E-03
4 F= -.12168812E+03 E0= -.12166944E+03 d E =-.113249E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.121228995008E+03 -0.24174E-04 -0.82606E-03 848 0.450E-01 0.398E-02
DAV: 2 -0.121229009622E+03 -0.14614E-04 -0.18819E-04 944 0.631E-02 0.106E-02
DAV: 3 -0.121229006942E+03 0.26808E-05 -0.48363E-06 688 0.134E-02
5 F= -.12168815E+03 E0= -.12166947E+03 d E =-.113252E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.121402453485E+03 -0.17344E+00 -0.11349E+01 768 0.167E+01 0.114E+00
DAV: 2 -0.121429525934E+03 -0.27072E-01 -0.32014E-01 968 0.251E+00 0.511E-01
DAV: 3 -0.121425349698E+03 0.41762E-02 -0.68473E-03 920 0.477E-01 0.286E-01
DAV: 4 -0.121423406205E+03 0.19435E-02 -0.58623E-03 936 0.442E-01 0.680E-02
DAV: 5 -0.121423394292E+03 0.11913E-04 -0.16385E-03 960 0.216E-01 0.526E-02
DAV: 6 -0.121423400704E+03 -0.64120E-05 -0.14424E-04 904 0.615E-02 0.289E-02
DAV: 7 -0.121423496036E+03 -0.95331E-04 -0.62501E-05 872 0.436E-02 0.123E-02
DAV: 8 -0.121423619384E+03 -0.12335E-03 -0.54555E-05 904 0.461E-02 0.102E-02
DAV: 9 -0.121423771951E+03 -0.15257E-03 -0.34254E-05 856 0.277E-02 0.855E-03
DAV: 10 -0.121423853032E+03 -0.81080E-04 -0.11462E-05 656 0.168E-02 0.538E-03
DAV: 11 -0.121423932587E+03 -0.79555E-04 -0.14560E-05 656 0.144E-02 0.392E-03
DAV: 12 -0.121423951274E+03 -0.18687E-04 -0.33196E-06 704 0.116E-02 0.201E-03
DAV: 13 -0.121423975410E+03 -0.24137E-04 -0.46226E-06 592 0.948E-03 0.362E-03
DAV: 14 -0.121423985366E+03 -0.99550E-05 -0.15197E-06 632 0.681E-03
6 F= -.12188253E+03 E0= -.12186384E+03 d E =-.194387E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.121458411851E+03 -0.34436E-01 -0.70281E+00 768 0.131E+01 0.892E-01
DAV: 2 -0.121475248562E+03 -0.16837E-01 -0.19874E-01 984 0.198E+00 0.401E-01
DAV: 3 -0.121472631598E+03 0.26170E-02 -0.43583E-03 920 0.385E-01 0.224E-01
DAV: 4 -0.121471378916E+03 0.12527E-02 -0.38092E-03 896 0.349E-01 0.558E-02
DAV: 5 -0.121471346221E+03 0.32695E-04 -0.10402E-03 1024 0.179E-01 0.417E-02
DAV: 6 -0.121471348480E+03 -0.22598E-05 -0.98917E-05 920 0.497E-02
7 F= -.12192938E+03 E0= -.12191067E+03 d E =-.241235E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.121561519176E+03 -0.90173E-01 -0.87276E+00 768 0.146E+01 0.848E-01
DAV: 2 -0.121576253358E+03 -0.14734E-01 -0.21754E-01 960 0.216E+00 0.388E-01
DAV: 3 -0.121574304810E+03 0.19485E-02 -0.85747E-03 960 0.505E-01 0.233E-01
DAV: 4 -0.121573596309E+03 0.70850E-03 -0.31112E-03 920 0.318E-01 0.861E-02
DAV: 5 -0.121573582164E+03 0.14145E-04 -0.71169E-04 976 0.163E-01 0.472E-02
DAV: 6 -0.121573660604E+03 -0.78440E-04 -0.43677E-04 888 0.117E-01 0.322E-02
DAV: 7 -0.121573747873E+03 -0.87269E-04 -0.54030E-05 880 0.437E-02 0.154E-02
DAV: 8 -0.121573883444E+03 -0.13557E-03 -0.58639E-05 848 0.397E-02 0.942E-03
DAV: 9 -0.121574004403E+03 -0.12096E-03 -0.20235E-05 728 0.277E-02 0.772E-03
DAV: 10 -0.121574084729E+03 -0.80326E-04 -0.19566E-05 744 0.214E-02 0.552E-03
DAV: 11 -0.121574126711E+03 -0.41982E-04 -0.46614E-06 656 0.108E-02 0.225E-03
DAV: 12 -0.121574152363E+03 -0.25651E-04 -0.55776E-06 616 0.101E-02 0.264E-03
DAV: 13 -0.121574166800E+03 -0.14438E-04 -0.14688E-06 656 0.483E-03 0.149E-03
DAV: 14 -0.121574175589E+03 -0.87888E-05 -0.15478E-06 584 0.469E-03
8 F= -.12203256E+03 E0= -.12201383E+03 d E =-.103176E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.121587977283E+03 -0.13810E-01 -0.36883E+00 768 0.953E+00 0.557E-01
DAV: 2 -0.121594133358E+03 -0.61561E-02 -0.91197E-02 880 0.139E+00 0.252E-01
DAV: 3 -0.121593317677E+03 0.81568E-03 -0.37119E-03 952 0.333E-01 0.150E-01
DAV: 4 -0.121592981075E+03 0.33660E-03 -0.13169E-03 912 0.206E-01 0.562E-02
DAV: 5 -0.121592937867E+03 0.43207E-04 -0.29050E-04 1000 0.105E-01 0.299E-02
DAV: 6 -0.121592948956E+03 -0.11089E-04 -0.17380E-04 880 0.742E-02 0.207E-02
DAV: 7 -0.121592971036E+03 -0.22080E-04 -0.19241E-05 688 0.271E-02 0.999E-03
DAV: 8 -0.121593013689E+03 -0.42653E-04 -0.30053E-05 720 0.274E-02 0.674E-03
DAV: 9 -0.121593054626E+03 -0.40937E-04 -0.96047E-06 600 0.222E-02 0.460E-03
DAV: 10 -0.121593073568E+03 -0.18942E-04 -0.63896E-06 688 0.126E-02 0.366E-03
DAV: 11 -0.121593095771E+03 -0.22203E-04 -0.32524E-06 568 0.838E-03 0.189E-03
DAV: 12 -0.121593108088E+03 -0.12317E-04 -0.18051E-06 640 0.592E-03 0.105E-03
DAV: 13 -0.121593116474E+03 -0.83861E-05 -0.14303E-06 616 0.521E-03
9 F= -.12205170E+03 E0= -.12203297E+03 d E =-.122318E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.121675299604E+03 -0.82192E-01 -0.57196E+00 768 0.121E+01 0.675E-01
DAV: 2 -0.121685643419E+03 -0.10344E-01 -0.13643E-01 984 0.170E+00 0.337E-01
DAV: 3 -0.121684427272E+03 0.12161E-02 -0.38129E-03 928 0.362E-01 0.199E-01
DAV: 4 -0.121684298978E+03 0.12829E-03 -0.40869E-03 872 0.329E-01 0.757E-02
DAV: 5 -0.121684255391E+03 0.43587E-04 -0.58838E-04 1048 0.146E-01 0.432E-02
DAV: 6 -0.121684267628E+03 -0.12236E-04 -0.24795E-04 896 0.838E-02 0.185E-02
DAV: 7 -0.121684275902E+03 -0.82745E-05 -0.25759E-05 712 0.293E-02
10 F= -.12214353E+03 E0= -.12212479E+03 d E =-.918333E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.121718387931E+03 -0.34120E-01 -0.30426E+01 768 0.279E+01 0.161E+00
DAV: 2 -0.121775839494E+03 -0.57452E-01 -0.75349E-01 984 0.400E+00 0.794E-01
DAV: 3 -0.121768896489E+03 0.69430E-02 -0.22101E-02 976 0.862E-01 0.473E-01
DAV: 4 -0.121768021598E+03 0.87489E-03 -0.23626E-02 928 0.797E-01 0.181E-01
DAV: 5 -0.121767822926E+03 0.19867E-03 -0.33106E-03 1112 0.352E-01 0.106E-01
DAV: 6 -0.121767912426E+03 -0.89500E-04 -0.13616E-03 912 0.203E-01 0.418E-02
DAV: 7 -0.121767976134E+03 -0.63708E-04 -0.17610E-04 912 0.684E-02 0.262E-02
DAV: 8 -0.121768065827E+03 -0.89692E-04 -0.64495E-05 872 0.413E-02 0.101E-02
DAV: 9 -0.121768162961E+03 -0.97134E-04 -0.12862E-05 656 0.254E-02 0.673E-03
DAV: 10 -0.121768252107E+03 -0.89146E-04 -0.21356E-05 680 0.258E-02 0.555E-03
DAV: 11 -0.121768330435E+03 -0.78328E-04 -0.13114E-05 616 0.185E-02 0.445E-03
DAV: 12 -0.121768358564E+03 -0.28129E-04 -0.45596E-06 672 0.962E-03 0.331E-03
DAV: 13 -0.121768378906E+03 -0.20342E-04 -0.49179E-06 568 0.120E-02 0.179E-03
DAV: 14 -0.121768390425E+03 -0.11519E-04 -0.20170E-06 640 0.566E-03 0.233E-03
DAV: 15 -0.121768393826E+03 -0.34011E-05 -0.54812E-07 640 0.376E-03
11 F= -.12222935E+03 E0= -.12221060E+03 d E =-.177652E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.121819886229E+03 -0.51496E-01 -0.11005E+01 768 0.164E+01 0.882E-01
DAV: 2 -0.121840451340E+03 -0.20565E-01 -0.25936E-01 920 0.227E+00 0.447E-01
DAV: 3 -0.121837675644E+03 0.27757E-02 -0.64534E-03 976 0.444E-01 0.274E-01
DAV: 4 -0.121836954236E+03 0.72141E-03 -0.94873E-03 888 0.536E-01 0.104E-01
DAV: 5 -0.121836898073E+03 0.56163E-04 -0.16083E-03 952 0.215E-01 0.798E-02
DAV: 6 -0.121836881326E+03 0.16747E-04 -0.81301E-04 904 0.141E-01 0.278E-02
DAV: 7 -0.121836924345E+03 -0.43019E-04 -0.94382E-05 920 0.507E-02 0.202E-02
DAV: 8 -0.121836972516E+03 -0.48171E-04 -0.37865E-05 792 0.386E-02 0.911E-03
DAV: 9 -0.121837055272E+03 -0.82755E-04 -0.18620E-05 688 0.228E-02 0.713E-03
DAV: 10 -0.121837095640E+03 -0.40368E-04 -0.66413E-06 656 0.133E-02 0.484E-03
DAV: 11 -0.121837157243E+03 -0.61603E-04 -0.23550E-05 712 0.224E-02 0.769E-03
DAV: 12 -0.121837169357E+03 -0.12114E-04 -0.28321E-06 696 0.989E-03 0.517E-03
DAV: 13 -0.121837178749E+03 -0.93925E-05 -0.63781E-06 600 0.126E-02
12 F= -.12229947E+03 E0= -.12228072E+03 d E =-.701207E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.121838074598E+03 -0.90524E-03 -0.34533E-01 768 0.291E+00 0.157E-01
DAV: 2 -0.121838687960E+03 -0.61336E-03 -0.78754E-03 936 0.397E-01 0.774E-02
DAV: 3 -0.121838606580E+03 0.81380E-04 -0.18545E-04 896 0.753E-02 0.475E-02
DAV: 4 -0.121838582576E+03 0.24004E-04 -0.27261E-04 872 0.916E-02 0.171E-02
DAV: 5 -0.121838581995E+03 0.58059E-06 -0.47488E-05 952 0.364E-02
13 F= -.12230112E+03 E0= -.12228236E+03 d E =-.717649E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.121862306648E+03 -0.23724E-01 -0.51544E+00 768 0.113E+01 0.597E-01
DAV: 2 -0.121871847116E+03 -0.95405E-02 -0.12205E-01 952 0.156E+00 0.273E-01
DAV: 3 -0.121870969244E+03 0.87787E-03 -0.34660E-03 928 0.302E-01 0.160E-01
DAV: 4 -0.121870670932E+03 0.29831E-03 -0.14253E-03 880 0.232E-01 0.530E-02
DAV: 5 -0.121870701214E+03 -0.30281E-04 -0.45335E-04 920 0.101E-01 0.321E-02
DAV: 6 -0.121870705630E+03 -0.44158E-05 -0.75500E-05 920 0.455E-02
14 F= -.12233479E+03 E0= -.12231604E+03 d E =-.336768E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.121871471792E+03 -0.77058E-03 -0.23536E+00 768 0.765E+00 0.404E-01
DAV: 2 -0.121875835940E+03 -0.43641E-02 -0.55813E-02 984 0.106E+00 0.183E-01
DAV: 3 -0.121875421412E+03 0.41453E-03 -0.15557E-03 960 0.204E-01 0.107E-01
DAV: 4 -0.121875288741E+03 0.13267E-03 -0.64440E-04 920 0.156E-01 0.356E-02
DAV: 5 -0.121875313446E+03 -0.24706E-04 -0.20338E-04 928 0.687E-02 0.212E-02
DAV: 6 -0.121875328248E+03 -0.14802E-04 -0.33919E-05 896 0.305E-02 0.106E-02
DAV: 7 -0.121875355555E+03 -0.27307E-04 -0.64486E-06 600 0.197E-02 0.377E-03
DAV: 8 -0.121875382043E+03 -0.26488E-04 -0.78132E-06 656 0.163E-02 0.347E-03
DAV: 9 -0.121875413560E+03 -0.31517E-04 -0.49733E-06 568 0.147E-02 0.209E-03
DAV: 10 -0.121875423986E+03 -0.10426E-04 -0.20832E-06 688 0.680E-03 0.222E-03
DAV: 11 -0.121875431482E+03 -0.74959E-05 -0.13418E-06 600 0.586E-03
15 F= -.12234055E+03 E0= -.12232180E+03 d E =-.394343E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.121890447606E+03 -0.15024E-01 -0.38104E+00 768 0.985E+00 0.435E-01
DAV: 2 -0.121897222388E+03 -0.67748E-02 -0.85996E-02 968 0.134E+00 0.233E-01
DAV: 3 -0.121896650715E+03 0.57167E-03 -0.23018E-03 928 0.268E-01 0.143E-01
DAV: 4 -0.121896541117E+03 0.10960E-03 -0.14018E-03 856 0.214E-01 0.514E-02
DAV: 5 -0.121896562484E+03 -0.21366E-04 -0.29210E-04 936 0.899E-02 0.284E-02
DAV: 6 -0.121896566315E+03 -0.38314E-05 -0.10209E-04 920 0.532E-02 0.147E-02
DAV: 7 -0.121896570236E+03 -0.39210E-05 -0.95494E-06 632 0.203E-02
16 F= -.12236316E+03 E0= -.12234441E+03 d E =-.226061E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.121897359497E+03 -0.79318E-03 -0.18515E+00 768 0.687E+00 0.303E-01
DAV: 2 -0.121900602926E+03 -0.32434E-02 -0.41539E-02 984 0.932E-01 0.161E-01
DAV: 3 -0.121900326842E+03 0.27608E-03 -0.11461E-03 952 0.188E-01 0.988E-02
DAV: 4 -0.121900276487E+03 0.50355E-04 -0.64535E-04 936 0.146E-01 0.362E-02
DAV: 5 -0.121900293000E+03 -0.16513E-04 -0.13956E-04 936 0.621E-02 0.197E-02
DAV: 6 -0.121900301157E+03 -0.81568E-05 -0.49025E-05 904 0.373E-02
17 F= -.12236789E+03 E0= -.12234914E+03 d E =-.273358E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.121915610972E+03 -0.15318E-01 -0.28217E+00 768 0.841E+00 0.373E-01
DAV: 2 -0.121920802244E+03 -0.51913E-02 -0.64147E-02 968 0.115E+00 0.214E-01
DAV: 3 -0.121920329118E+03 0.47313E-03 -0.13240E-03 912 0.215E-01 0.134E-01
DAV: 4 -0.121920276290E+03 0.52828E-04 -0.17293E-03 872 0.228E-01 0.475E-02
DAV: 5 -0.121920273072E+03 0.32183E-05 -0.28874E-04 1008 0.101E-01 0.294E-02
DAV: 6 -0.121920289859E+03 -0.16787E-04 -0.13213E-04 864 0.621E-02 0.130E-02
DAV: 7 -0.121920299377E+03 -0.95181E-05 -0.14802E-05 728 0.213E-02
18 F= -.12238846E+03 E0= -.12236971E+03 d E =-.205781E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.121921805258E+03 -0.15154E-02 -0.13345E+00 768 0.579E+00 0.258E-01
DAV: 2 -0.121924233080E+03 -0.24278E-02 -0.30362E-02 968 0.795E-01 0.147E-01
DAV: 3 -0.121924011725E+03 0.22136E-03 -0.64962E-04 960 0.150E-01 0.921E-02
DAV: 4 -0.121923989455E+03 0.22270E-04 -0.81593E-04 904 0.158E-01 0.330E-02
DAV: 5 -0.121923990695E+03 -0.12401E-05 -0.13285E-04 984 0.697E-02 0.210E-02
DAV: 6 -0.121924002992E+03 -0.12297E-04 -0.69412E-05 872 0.464E-02 0.931E-03
DAV: 7 -0.121924010331E+03 -0.73383E-05 -0.85537E-06 672 0.160E-02
19 F= -.12239255E+03 E0= -.12237380E+03 d E =-.246663E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.121938647853E+03 -0.14645E-01 -0.30699E+00 768 0.860E+00 0.361E-01
DAV: 2 -0.121943578847E+03 -0.49310E-02 -0.60478E-02 976 0.111E+00 0.196E-01
DAV: 3 -0.121943201825E+03 0.37702E-03 -0.13467E-03 896 0.196E-01 0.116E-01
DAV: 4 -0.121943141684E+03 0.60141E-04 -0.93319E-04 856 0.173E-01 0.354E-02
DAV: 5 -0.121943147616E+03 -0.59316E-05 -0.17977E-04 936 0.737E-02 0.218E-02
DAV: 6 -0.121943151852E+03 -0.42361E-05 -0.63382E-05 912 0.401E-02
20 F= -.12241130E+03 E0= -.12239254E+03 d E =-.187432E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.121945680231E+03 -0.25326E-02 -0.43269E+00 768 0.102E+01 0.432E-01
DAV: 2 -0.121952602807E+03 -0.69226E-02 -0.85512E-02 992 0.132E+00 0.233E-01
DAV: 3 -0.121952041351E+03 0.56146E-03 -0.19092E-03 944 0.233E-01 0.137E-01
DAV: 4 -0.121951934357E+03 0.10699E-03 -0.12655E-03 904 0.203E-01 0.413E-02
DAV: 5 -0.121951955482E+03 -0.21125E-04 -0.25362E-04 952 0.873E-02 0.253E-02
DAV: 6 -0.121951978407E+03 -0.22925E-04 -0.79626E-05 904 0.448E-02 0.141E-02
DAV: 7 -0.121952002669E+03 -0.24262E-04 -0.99658E-06 632 0.241E-02 0.710E-03
DAV: 8 -0.121952054567E+03 -0.51897E-04 -0.27739E-05 728 0.278E-02 0.803E-03
DAV: 9 -0.121952085240E+03 -0.30674E-04 -0.93580E-06 648 0.213E-02 0.352E-03
DAV: 10 -0.121952118182E+03 -0.32941E-04 -0.10732E-05 600 0.157E-02 0.563E-03
DAV: 11 -0.121952138760E+03 -0.20578E-04 -0.32193E-06 640 0.959E-03 0.359E-03
DAV: 12 -0.121952145721E+03 -0.69617E-05 -0.30167E-06 680 0.971E-03
21 F= -.12241981E+03 E0= -.12240105E+03 d E =-.272536E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.121964724288E+03 -0.12586E-01 -0.46178E+00 768 0.104E+01 0.459E-01
DAV: 2 -0.121972567006E+03 -0.78427E-02 -0.92956E-02 936 0.134E+00 0.230E-01
DAV: 3 -0.121972042144E+03 0.52486E-03 -0.17659E-03 880 0.235E-01 0.140E-01
DAV: 4 -0.121971968219E+03 0.73924E-04 -0.20642E-03 864 0.263E-01 0.470E-02
DAV: 5 -0.121971973927E+03 -0.57080E-05 -0.37943E-04 968 0.103E-01 0.387E-02
DAV: 6 -0.121971975610E+03 -0.16827E-05 -0.16604E-04 904 0.634E-02 0.156E-02
DAV: 7 -0.121971985050E+03 -0.94401E-05 -0.15250E-05 720 0.218E-02
22 F= -.12243925E+03 E0= -.12242050E+03 d E =-.194427E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.121971652961E+03 0.32265E-03 -0.43144E+00 768 0.100E+01 0.447E-01
DAV: 2 -0.121978990301E+03 -0.73373E-02 -0.87443E-02 944 0.130E+00 0.222E-01
DAV: 3 -0.121978493370E+03 0.49693E-03 -0.16730E-03 960 0.229E-01 0.135E-01
DAV: 4 -0.121978427240E+03 0.66129E-04 -0.19051E-03 912 0.252E-01 0.452E-02
DAV: 5 -0.121978442135E+03 -0.14894E-04 -0.34962E-04 912 0.995E-02 0.368E-02
DAV: 6 -0.121978457524E+03 -0.15390E-04 -0.15900E-04 904 0.621E-02 0.154E-02
DAV: 7 -0.121978475549E+03 -0.18024E-04 -0.14850E-05 672 0.223E-02 0.927E-03
DAV: 8 -0.121978506854E+03 -0.31305E-04 -0.15996E-05 720 0.216E-02 0.455E-03
DAV: 9 -0.121978533392E+03 -0.26538E-04 -0.43036E-06 616 0.127E-02 0.297E-03
DAV: 10 -0.121978556759E+03 -0.23367E-04 -0.43436E-06 624 0.113E-02 0.333E-03
DAV: 11 -0.121978573731E+03 -0.16972E-04 -0.36730E-06 584 0.102E-02 0.327E-03
DAV: 12 -0.121978578932E+03 -0.52011E-05 -0.10893E-06 656 0.574E-03
23 F= -.12244543E+03 E0= -.12242668E+03 d E =-.256219E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.121987961155E+03 -0.93874E-02 -0.32923E+00 768 0.876E+00 0.383E-01
DAV: 2 -0.121993797515E+03 -0.58364E-02 -0.68399E-02 944 0.116E+00 0.187E-01
DAV: 3 -0.121993468744E+03 0.32877E-03 -0.11822E-03 904 0.191E-01 0.116E-01
DAV: 4 -0.121993443600E+03 0.25144E-04 -0.14373E-03 904 0.222E-01 0.391E-02
DAV: 5 -0.121993452751E+03 -0.91512E-05 -0.28452E-04 976 0.877E-02 0.319E-02
DAV: 6 -0.121993450183E+03 0.25684E-05 -0.11167E-04 920 0.520E-02 0.121E-02
DAV: 7 -0.121993455825E+03 -0.56422E-05 -0.99996E-06 696 0.164E-02
24 F= -.12246046E+03 E0= -.12244171E+03 d E =-.150344E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.121985317635E+03 0.81325E-02 -0.11169E+01 768 0.161E+01 0.708E-01
DAV: 2 -0.122005486860E+03 -0.20169E-01 -0.23397E-01 952 0.214E+00 0.346E-01
DAV: 3 -0.122004270236E+03 0.12166E-02 -0.40967E-03 960 0.353E-01 0.214E-01
DAV: 4 -0.122004104221E+03 0.16601E-03 -0.47438E-03 944 0.402E-01 0.705E-02
DAV: 5 -0.122004145701E+03 -0.41479E-04 -0.93531E-04 952 0.160E-01 0.558E-02
DAV: 6 -0.122004152203E+03 -0.65021E-05 -0.36011E-04 912 0.933E-02 0.224E-02
DAV: 7 -0.122004178411E+03 -0.26208E-04 -0.37012E-05 856 0.308E-02 0.119E-02
DAV: 8 -0.122004213949E+03 -0.35538E-04 -0.11578E-05 584 0.196E-02 0.395E-03
DAV: 9 -0.122004250701E+03 -0.36752E-04 -0.82386E-06 600 0.151E-02 0.399E-03
DAV: 10 -0.122004279338E+03 -0.28636E-04 -0.40544E-06 616 0.122E-02 0.315E-03
DAV: 11 -0.122004307764E+03 -0.28427E-04 -0.72359E-06 568 0.124E-02 0.377E-03
DAV: 12 -0.122004313146E+03 -0.53818E-05 -0.15036E-06 672 0.722E-03
25 F= -.12247149E+03 E0= -.12245273E+03 d E =-.260582E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.122012117725E+03 -0.78100E-02 -0.52292E+00 768 0.110E+01 0.496E-01
DAV: 2 -0.122020882541E+03 -0.87648E-02 -0.10659E-01 928 0.143E+00 0.254E-01
DAV: 3 -0.122020199787E+03 0.68275E-03 -0.21443E-03 936 0.269E-01 0.155E-01
DAV: 4 -0.122020071644E+03 0.12814E-03 -0.26212E-03 888 0.287E-01 0.536E-02
DAV: 5 -0.122020071479E+03 0.16500E-06 -0.51750E-04 984 0.122E-01 0.390E-02
DAV: 6 -0.122020071198E+03 0.28089E-06 -0.19983E-04 904 0.687E-02 0.167E-02
DAV: 7 -0.122020079310E+03 -0.81120E-05 -0.12960E-05 712 0.230E-02
26 F= -.12248763E+03 E0= -.12246888E+03 d E =-.161429E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.122019374998E+03 0.69620E-03 -0.19475E+00 768 0.669E+00 0.302E-01
DAV: 2 -0.122022591478E+03 -0.32165E-02 -0.39549E-02 936 0.875E-01 0.153E-01
DAV: 3 -0.122022327379E+03 0.26410E-03 -0.79481E-04 952 0.163E-01 0.937E-02
DAV: 4 -0.122022283033E+03 0.44346E-04 -0.99463E-04 912 0.176E-01 0.332E-02
DAV: 5 -0.122022290636E+03 -0.76030E-05 -0.19377E-04 960 0.749E-02 0.248E-02
DAV: 6 -0.122022302827E+03 -0.12191E-04 -0.82946E-05 864 0.452E-02 0.105E-02
DAV: 7 -0.122022316984E+03 -0.14157E-04 -0.57976E-06 632 0.152E-02 0.674E-03
DAV: 8 -0.122022349212E+03 -0.32228E-04 -0.95880E-06 576 0.167E-02 0.329E-03
DAV: 9 -0.122022373268E+03 -0.24056E-04 -0.33872E-06 632 0.934E-03 0.248E-03
DAV: 10 -0.122022395140E+03 -0.21873E-04 -0.44426E-06 576 0.102E-02 0.317E-03
DAV: 11 -0.122022404269E+03 -0.91287E-05 -0.14601E-06 672 0.635E-03
27 F= -.12249016E+03 E0= -.12247140E+03 d E =-.186711E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.122026133059E+03 -0.37379E-02 -0.82969E-01 768 0.449E+00 0.206E-01
DAV: 2 -0.122027529030E+03 -0.13960E-02 -0.17715E-02 936 0.610E-01 0.104E-01
DAV: 3 -0.122027435677E+03 0.93353E-04 -0.43739E-04 912 0.109E-01 0.632E-02
DAV: 4 -0.122027409320E+03 0.26357E-04 -0.29144E-04 880 0.966E-02 0.190E-02
DAV: 5 -0.122027409571E+03 -0.25130E-06 -0.57169E-05 960 0.411E-02
28 F= -.12249521E+03 E0= -.12247646E+03 d E =-.505524E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.122027730479E+03 -0.32116E-03 -0.43124E-01 768 0.324E+00 0.150E-01
DAV: 2 -0.122028462026E+03 -0.73155E-03 -0.93636E-03 960 0.442E-01 0.743E-02
DAV: 3 -0.122028407906E+03 0.54120E-04 -0.21405E-04 928 0.774E-02 0.456E-02
DAV: 4 -0.122028393082E+03 0.14824E-04 -0.17563E-04 920 0.739E-02 0.143E-02
DAV: 5 -0.122028397217E+03 -0.41349E-05 -0.32140E-05 856 0.316E-02
29 F= -.12249624E+03 E0= -.12247748E+03 d E =-.607873E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.122032328145E+03 -0.39351E-02 -0.99913E-01 768 0.498E+00 0.250E-01
DAV: 2 -0.122034271327E+03 -0.19432E-02 -0.22879E-02 952 0.684E-01 0.110E-01
DAV: 3 -0.122034163782E+03 0.10754E-03 -0.52545E-04 920 0.126E-01 0.660E-02
DAV: 4 -0.122034168283E+03 -0.45002E-05 -0.33995E-04 880 0.109E-01 0.214E-02
DAV: 5 -0.122034182878E+03 -0.14595E-04 -0.66922E-05 936 0.420E-02 0.141E-02
DAV: 6 -0.122034191360E+03 -0.84818E-05 -0.19262E-05 656 0.241E-02
30 F= -.12250171E+03 E0= -.12248296E+03 d E =-.547745E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.122034994963E+03 -0.81209E-03 -0.47566E-01 768 0.344E+00 0.174E-01
DAV: 2 -0.122035921192E+03 -0.92623E-03 -0.10874E-02 952 0.471E-01 0.758E-02
DAV: 3 -0.122035865353E+03 0.55839E-04 -0.24581E-04 936 0.869E-02 0.454E-02
DAV: 4 -0.122035861883E+03 0.34698E-05 -0.15870E-04 872 0.749E-02 0.144E-02
DAV: 5 -0.122035868145E+03 -0.62618E-05 -0.32209E-05 936 0.290E-02
31 F= -.12250317E+03 E0= -.12248442E+03 d E =-.693345E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.122040701987E+03 -0.48401E-02 -0.78951E-01 768 0.444E+00 0.197E-01
DAV: 2 -0.122042185821E+03 -0.14838E-02 -0.17707E-02 944 0.604E-01 0.104E-01
DAV: 3 -0.122042097157E+03 0.88664E-04 -0.35022E-04 952 0.103E-01 0.635E-02
DAV: 4 -0.122042100428E+03 -0.32708E-05 -0.37068E-04 840 0.107E-01 0.209E-02
DAV: 5 -0.122042100674E+03 -0.24546E-06 -0.62145E-05 960 0.445E-02
32 F= -.12250886E+03 E0= -.12249010E+03 d E =-.568609E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.122043099304E+03 -0.99888E-03 -0.10650E+00 768 0.516E+00 0.229E-01
DAV: 2 -0.122045114766E+03 -0.20155E-02 -0.24065E-02 960 0.704E-01 0.120E-01
DAV: 3 -0.122044987449E+03 0.12732E-03 -0.46455E-04 944 0.120E-01 0.740E-02
DAV: 4 -0.122044984819E+03 0.26299E-05 -0.52195E-04 904 0.126E-01 0.253E-02
DAV: 5 -0.122044983794E+03 0.10249E-05 -0.86209E-05 968 0.530E-02
33 F= -.12251110E+03 E0= -.12249235E+03 d E =-.793318E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.122048491322E+03 -0.35065E-02 -0.61849E-01 768 0.393E+00 0.167E-01
DAV: 2 -0.122049640799E+03 -0.11495E-02 -0.13427E-02 936 0.525E-01 0.884E-02
DAV: 3 -0.122049582355E+03 0.58444E-04 -0.25599E-04 960 0.852E-02 0.556E-02
DAV: 4 -0.122049599128E+03 -0.16772E-04 -0.34701E-04 888 0.991E-02 0.222E-02
DAV: 5 -0.122049597682E+03 0.14457E-05 -0.51154E-05 928 0.417E-02
34 F= -.12251535E+03 E0= -.12249659E+03 d E =-.424343E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.122046603369E+03 0.29958E-02 -0.55667E+00 768 0.118E+01 0.498E-01
DAV: 2 -0.122056723652E+03 -0.10120E-01 -0.11890E-01 912 0.157E+00 0.262E-01
DAV: 3 -0.122056246338E+03 0.47731E-03 -0.24382E-03 992 0.257E-01 0.165E-01
DAV: 4 -0.122056328236E+03 -0.81898E-04 -0.27330E-03 888 0.281E-01 0.611E-02
DAV: 5 -0.122056312525E+03 0.15711E-04 -0.41621E-04 936 0.120E-01 0.469E-02
DAV: 6 -0.122056316249E+03 -0.37243E-05 -0.32182E-04 888 0.100E-01 0.180E-02
DAV: 7 -0.122056335450E+03 -0.19200E-04 -0.39572E-05 760 0.339E-02 0.119E-02
DAV: 8 -0.122056359848E+03 -0.24398E-04 -0.14429E-05 576 0.217E-02 0.531E-03
DAV: 9 -0.122056382459E+03 -0.22611E-04 -0.10294E-05 624 0.167E-02 0.383E-03
DAV: 10 -0.122056402764E+03 -0.20305E-04 -0.38313E-06 576 0.115E-02 0.342E-03
DAV: 11 -0.122056413480E+03 -0.10717E-04 -0.47117E-06 664 0.134E-02 0.255E-03
DAV: 12 -0.122056421769E+03 -0.82883E-05 -0.17131E-06 600 0.624E-03
35 F= -.12252106E+03 E0= -.12250231E+03 d E =-.995723E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.122059872987E+03 -0.34595E-02 -0.17777E+00 768 0.669E+00 0.330E-01
DAV: 2 -0.122063336320E+03 -0.34633E-02 -0.39651E-02 952 0.904E-01 0.148E-01
DAV: 3 -0.122063132667E+03 0.20365E-03 -0.80542E-04 912 0.156E-01 0.890E-02
DAV: 4 -0.122063113102E+03 0.19565E-04 -0.56647E-04 824 0.144E-01 0.245E-02
DAV: 5 -0.122063123785E+03 -0.10683E-04 -0.12125E-04 952 0.569E-02 0.192E-02
DAV: 6 -0.122063124318E+03 -0.53305E-06 -0.33621E-05 824 0.311E-02
36 F= -.12252753E+03 E0= -.12250877E+03 d E =-.646868E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.122063066607E+03 0.57178E-04 -0.82875E-01 768 0.457E+00 0.229E-01
DAV: 2 -0.122064690372E+03 -0.16238E-02 -0.18609E-02 944 0.619E-01 0.101E-01
DAV: 3 -0.122064593489E+03 0.96882E-04 -0.37529E-04 960 0.107E-01 0.605E-02
DAV: 4 -0.122064584605E+03 0.88841E-05 -0.26304E-04 880 0.985E-02 0.166E-02
DAV: 5 -0.122064592084E+03 -0.74784E-05 -0.57410E-05 944 0.393E-02
37 F= -.12252883E+03 E0= -.12251008E+03 d E =-.777461E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.122068533644E+03 -0.39490E-02 -0.17729E+00 768 0.660E+00 0.285E-01
DAV: 2 -0.122071582662E+03 -0.30490E-02 -0.35721E-02 888 0.853E-01 0.151E-01
DAV: 3 -0.122071395826E+03 0.18684E-03 -0.76743E-04 944 0.150E-01 0.910E-02
DAV: 4 -0.122071405105E+03 -0.92789E-05 -0.66703E-04 856 0.156E-01 0.274E-02
DAV: 5 -0.122071418287E+03 -0.13182E-04 -0.13651E-04 920 0.612E-02 0.210E-02
DAV: 6 -0.122071426216E+03 -0.79292E-05 -0.45021E-05 872 0.329E-02
38 F= -.12253548E+03 E0= -.12251672E+03 d E =-.664048E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.122070257307E+03 0.11610E-02 -0.27565E+00 768 0.823E+00 0.356E-01
DAV: 2 -0.122074990501E+03 -0.47332E-02 -0.55536E-02 888 0.106E+00 0.189E-01
DAV: 3 -0.122074700006E+03 0.29050E-03 -0.11932E-03 968 0.186E-01 0.114E-01
DAV: 4 -0.122074708072E+03 -0.80661E-05 -0.10223E-03 904 0.193E-01 0.338E-02
DAV: 5 -0.122074731283E+03 -0.23211E-04 -0.21303E-04 912 0.757E-02 0.261E-02
DAV: 6 -0.122074744663E+03 -0.13380E-04 -0.66468E-05 888 0.397E-02 0.117E-02
DAV: 7 -0.122074758946E+03 -0.14283E-04 -0.58247E-06 608 0.147E-02 0.601E-03
DAV: 8 -0.122074779265E+03 -0.20319E-04 -0.67898E-06 608 0.145E-02 0.243E-03
DAV: 9 -0.122074791949E+03 -0.12684E-04 -0.18365E-06 640 0.742E-03 0.170E-03
DAV: 10 -0.122074805646E+03 -0.13697E-04 -0.20690E-06 584 0.608E-03 0.185E-03
DAV: 11 -0.122074811124E+03 -0.54784E-05 -0.75118E-07 640 0.396E-03
39 F= -.12253861E+03 E0= -.12251986E+03 d E =-.977999E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.122079227850E+03 -0.44222E-02 -0.76113E-01 768 0.428E+00 0.190E-01
DAV: 2 -0.122080482178E+03 -0.12543E-02 -0.15018E-02 896 0.548E-01 0.104E-01
DAV: 3 -0.122080403545E+03 0.78633E-04 -0.35242E-04 968 0.101E-01 0.637E-02
DAV: 4 -0.122080410542E+03 -0.69974E-05 -0.34084E-04 888 0.105E-01 0.209E-02
DAV: 5 -0.122080409320E+03 0.12225E-05 -0.62699E-05 960 0.449E-02
40 F= -.12254395E+03 E0= -.12252519E+03 d E =-.533606E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.122077283140E+03 0.31274E-02 -0.68410E+00 768 0.129E+01 0.576E-01
DAV: 2 -0.122088682023E+03 -0.11399E-01 -0.13693E-01 896 0.166E+00 0.313E-01
DAV: 3 -0.122087959683E+03 0.72234E-03 -0.32356E-03 1016 0.307E-01 0.192E-01
DAV: 4 -0.122088017654E+03 -0.57971E-04 -0.32215E-03 888 0.323E-01 0.657E-02
DAV: 5 -0.122088002581E+03 0.15073E-04 -0.58782E-04 952 0.139E-01 0.463E-02
DAV: 6 -0.122088013847E+03 -0.11266E-04 -0.32158E-04 864 0.918E-02 0.190E-02
DAV: 7 -0.122088027216E+03 -0.13369E-04 -0.27296E-05 720 0.308E-02 0.122E-02
DAV: 8 -0.122088050927E+03 -0.23711E-04 -0.28642E-05 776 0.272E-02 0.599E-03
DAV: 9 -0.122088064545E+03 -0.13618E-04 -0.54073E-06 680 0.152E-02 0.443E-03
DAV: 10 -0.122088081801E+03 -0.17256E-04 -0.69248E-06 568 0.161E-02 0.366E-03
DAV: 11 -0.122088088118E+03 -0.63171E-05 -0.33281E-06 688 0.972E-03
41 F= -.12255085E+03 E0= -.12253210E+03 d E =-.122390E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.122091763346E+03 -0.36815E-02 -0.89329E-01 768 0.468E+00 0.202E-01
DAV: 2 -0.122093304569E+03 -0.15412E-02 -0.17949E-02 936 0.604E-01 0.120E-01
DAV: 3 -0.122093169673E+03 0.13490E-03 -0.37430E-04 920 0.118E-01 0.727E-02
DAV: 4 -0.122093173751E+03 -0.40777E-05 -0.43420E-04 880 0.117E-01 0.232E-02
DAV: 5 -0.122093172737E+03 0.10135E-05 -0.83166E-05 968 0.541E-02
42 F= -.12255540E+03 E0= -.12253664E+03 d E =-.454173E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.122093715442E+03 -0.54169E-03 -0.10520E+00 768 0.509E+00 0.221E-01
DAV: 2 -0.122095558680E+03 -0.18432E-02 -0.21422E-02 904 0.661E-01 0.130E-01
DAV: 3 -0.122095395958E+03 0.16272E-03 -0.45997E-04 960 0.131E-01 0.791E-02
DAV: 4 -0.122095403754E+03 -0.77963E-05 -0.56267E-04 888 0.133E-01 0.272E-02
DAV: 5 -0.122095402899E+03 0.85512E-06 -0.10510E-04 952 0.616E-02 0.163E-02
DAV: 6 -0.122095410230E+03 -0.73308E-05 -0.39119E-05 872 0.301E-02
43 F= -.12255705E+03 E0= -.12253829E+03 d E =-.619661E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.122098684940E+03 -0.32820E-02 -0.76044E-01 768 0.432E+00 0.193E-01
DAV: 2 -0.122099965376E+03 -0.12804E-02 -0.15125E-02 960 0.559E-01 0.101E-01
DAV: 3 -0.122099850956E+03 0.11442E-03 -0.30116E-04 920 0.975E-02 0.605E-02
DAV: 4 -0.122099837982E+03 0.12974E-04 -0.29512E-04 896 0.104E-01 0.157E-02
DAV: 5 -0.122099845510E+03 -0.75282E-05 -0.66245E-05 944 0.413E-02
44 F= -.12256090E+03 E0= -.12254214E+03 d E =-.384735E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.122100389757E+03 -0.55178E-03 -0.12276E+00 768 0.548E+00 0.245E-01
DAV: 2 -0.122102468342E+03 -0.20786E-02 -0.24553E-02 960 0.711E-01 0.129E-01
DAV: 3 -0.122102275499E+03 0.19284E-03 -0.47381E-04 920 0.124E-01 0.774E-02
DAV: 4 -0.122102245015E+03 0.30484E-04 -0.51784E-04 896 0.138E-01 0.209E-02
DAV: 5 -0.122102255598E+03 -0.10582E-04 -0.11596E-04 960 0.549E-02 0.181E-02
DAV: 6 -0.122102262454E+03 -0.68566E-05 -0.35700E-05 824 0.303E-02
45 F= -.12256257E+03 E0= -.12254381E+03 d E =-.551916E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.122105737238E+03 -0.34816E-02 -0.87600E-01 768 0.457E+00 0.202E-01
DAV: 2 -0.122107056895E+03 -0.13197E-02 -0.15598E-02 896 0.561E-01 0.111E-01
DAV: 3 -0.122106948788E+03 0.10811E-03 -0.33124E-04 944 0.103E-01 0.652E-02
DAV: 4 -0.122106938474E+03 0.10314E-04 -0.33363E-04 840 0.108E-01 0.166E-02
DAV: 5 -0.122106946901E+03 -0.84275E-05 -0.71308E-05 944 0.445E-02
46 F= -.12256665E+03 E0= -.12254789E+03 d E =-.408262E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.122107662740E+03 -0.72427E-03 -0.10335E+00 768 0.496E+00 0.221E-01
DAV: 2 -0.122109207527E+03 -0.15448E-02 -0.18549E-02 896 0.612E-01 0.121E-01
DAV: 3 -0.122109060931E+03 0.14660E-03 -0.39584E-04 936 0.115E-01 0.712E-02
DAV: 4 -0.122109024520E+03 0.36411E-04 -0.42046E-04 848 0.123E-01 0.194E-02
DAV: 5 -0.122109032880E+03 -0.83601E-05 -0.91259E-05 928 0.511E-02
47 F= -.12256809E+03 E0= -.12254933E+03 d E =-.552142E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.122112395183E+03 -0.33707E-02 -0.97798E-01 768 0.483E+00 0.207E-01
DAV: 2 -0.122113862005E+03 -0.14668E-02 -0.17841E-02 912 0.604E-01 0.122E-01
DAV: 3 -0.122113731941E+03 0.13006E-03 -0.47139E-04 1008 0.123E-01 0.721E-02
DAV: 4 -0.122113724949E+03 0.69917E-05 -0.32105E-04 880 0.104E-01 0.202E-02
DAV: 5 -0.122113739020E+03 -0.14070E-04 -0.66329E-05 896 0.470E-02 0.109E-02
DAV: 6 -0.122113753559E+03 -0.14539E-04 -0.12779E-05 656 0.194E-02 0.580E-03
DAV: 7 -0.122113769083E+03 -0.15524E-04 -0.24989E-06 608 0.104E-02 0.285E-03
DAV: 8 -0.122113792496E+03 -0.23413E-04 -0.46505E-06 600 0.142E-02 0.244E-03
DAV: 9 -0.122113803607E+03 -0.11111E-04 -0.21537E-06 624 0.784E-03 0.130E-03
DAV: 10 -0.122113810464E+03 -0.68573E-05 -0.11622E-06 608 0.469E-03
48 F= -.12257246E+03 E0= -.12255370E+03 d E =-.436740E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.122114628416E+03 -0.82481E-03 -0.68527E-01 768 0.405E+00 0.172E-01
DAV: 2 -0.122115648306E+03 -0.10199E-02 -0.12372E-02 928 0.504E-01 0.102E-01
DAV: 3 -0.122115558182E+03 0.90124E-04 -0.31934E-04 952 0.101E-01 0.601E-02
DAV: 4 -0.122115548392E+03 0.97899E-05 -0.21851E-04 840 0.845E-02 0.163E-02
DAV: 5 -0.122115550329E+03 -0.19370E-05 -0.42887E-05 904 0.377E-02
49 F= -.12257385E+03 E0= -.12255509E+03 d E =-.576293E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.122118838583E+03 -0.32902E-02 -0.98949E-01 768 0.489E+00 0.262E-01
DAV: 2 -0.122120330583E+03 -0.14920E-02 -0.18854E-02 896 0.626E-01 0.134E-01
DAV: 3 -0.122120146095E+03 0.18449E-03 -0.52184E-04 920 0.128E-01 0.765E-02
DAV: 4 -0.122120116084E+03 0.30011E-04 -0.44998E-04 840 0.118E-01 0.239E-02
DAV: 5 -0.122120114979E+03 0.11049E-05 -0.89054E-05 944 0.565E-02
50 F= -.12257817E+03 E0= -.12255941E+03 d E =-.431387E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.122120338818E+03 -0.22273E-03 -0.28031E-01 768 0.260E+00 0.141E-01
DAV: 2 -0.122120766481E+03 -0.42766E-03 -0.54368E-03 936 0.335E-01 0.716E-02
DAV: 3 -0.122120705506E+03 0.60975E-04 -0.14699E-04 912 0.695E-02 0.407E-02
DAV: 4 -0.122120692702E+03 0.12804E-04 -0.13140E-04 864 0.642E-02 0.133E-02
DAV: 5 -0.122120695654E+03 -0.29522E-05 -0.28295E-05 872 0.339E-02
51 F= -.12257861E+03 E0= -.12255985E+03 d E =-.475711E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.122123197338E+03 -0.25046E-02 -0.93602E-01 768 0.475E+00 0.211E-01
DAV: 2 -0.122124603186E+03 -0.14058E-02 -0.17110E-02 896 0.591E-01 0.121E-01
DAV: 3 -0.122124487838E+03 0.11535E-03 -0.39184E-04 952 0.107E-01 0.734E-02
DAV: 4 -0.122124497023E+03 -0.91856E-05 -0.47767E-04 864 0.125E-01 0.245E-02
DAV: 5 -0.122124498566E+03 -0.15425E-05 -0.81751E-05 920 0.496E-02
52 F= -.12258210E+03 E0= -.12256333E+03 d E =-.348441E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.122123248095E+03 0.12489E-02 -0.31198E+00 768 0.867E+00 0.385E-01
DAV: 2 -0.122127951306E+03 -0.47032E-02 -0.57335E-02 896 0.108E+00 0.220E-01
DAV: 3 -0.122127569659E+03 0.38165E-03 -0.13144E-03 936 0.196E-01 0.134E-01
DAV: 4 -0.122127590217E+03 -0.20557E-04 -0.16089E-03 880 0.230E-01 0.453E-02
DAV: 5 -0.122127589897E+03 0.31923E-06 -0.27603E-04 912 0.905E-02 0.347E-02
DAV: 6 -0.122127598254E+03 -0.83571E-05 -0.14555E-04 888 0.635E-02 0.125E-02
DAV: 7 -0.122127617733E+03 -0.19479E-04 -0.16061E-05 704 0.204E-02 0.787E-03
DAV: 8 -0.122127646880E+03 -0.29147E-04 -0.79137E-06 624 0.141E-02 0.319E-03
DAV: 9 -0.122127668101E+03 -0.21221E-04 -0.39335E-06 648 0.990E-03 0.219E-03
DAV: 10 -0.122127689715E+03 -0.21614E-04 -0.27746E-06 592 0.645E-03 0.188E-03
DAV: 11 -0.122127698996E+03 -0.92811E-05 -0.15997E-06 648 0.569E-03
53 F= -.12258472E+03 E0= -.12256595E+03 d E =-.610426E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.122131307488E+03 -0.36178E-02 -0.94823E-01 768 0.477E+00 0.232E-01
DAV: 2 -0.122132850042E+03 -0.15426E-02 -0.18761E-02 888 0.608E-01 0.124E-01
DAV: 3 -0.122132724286E+03 0.12576E-03 -0.45376E-04 984 0.119E-01 0.755E-02
DAV: 4 -0.122132721028E+03 0.32582E-05 -0.48837E-04 848 0.132E-01 0.247E-02
DAV: 5 -0.122132718456E+03 0.25711E-05 -0.10020E-04 936 0.530E-02 0.191E-02
DAV: 6 -0.122132717397E+03 0.10599E-05 -0.36406E-05 896 0.297E-02
54 F= -.12258925E+03 E0= -.12257049E+03 d E =-.453557E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.122132778546E+03 -0.60089E-04 -0.21171E+00 768 0.714E+00 0.349E-01
DAV: 2 -0.122136231098E+03 -0.34526E-02 -0.42061E-02 896 0.911E-01 0.186E-01
DAV: 3 -0.122135949157E+03 0.28194E-03 -0.10088E-03 984 0.178E-01 0.112E-01
DAV: 4 -0.122135930494E+03 0.18662E-04 -0.10714E-03 864 0.198E-01 0.366E-02
DAV: 5 -0.122135928535E+03 0.19589E-05 -0.22055E-04 928 0.788E-02 0.287E-02
DAV: 6 -0.122135930674E+03 -0.21389E-05 -0.83099E-05 880 0.450E-02
55 F= -.12259175E+03 E0= -.12257299E+03 d E =-.703982E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.122138461580E+03 -0.25330E-02 -0.59366E-01 768 0.380E+00 0.172E-01
DAV: 2 -0.122139428687E+03 -0.96711E-03 -0.12012E-02 896 0.495E-01 0.103E-01
DAV: 3 -0.122139365576E+03 0.63111E-04 -0.31571E-04 968 0.952E-02 0.646E-02
DAV: 4 -0.122139391755E+03 -0.26180E-04 -0.34634E-04 848 0.103E-01 0.229E-02
DAV: 5 -0.122139394898E+03 -0.31424E-05 -0.54184E-05 928 0.425E-02
56 F= -.12259466E+03 E0= -.12257590E+03 d E =-.290632E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.122139941975E+03 -0.55022E-03 -0.87753E-01 768 0.462E+00 0.210E-01
DAV: 2 -0.122141392755E+03 -0.14508E-02 -0.18041E-02 896 0.606E-01 0.126E-01
DAV: 3 -0.122141291572E+03 0.10118E-03 -0.46516E-04 968 0.117E-01 0.788E-02
DAV: 4 -0.122141320443E+03 -0.28871E-04 -0.56602E-04 856 0.131E-01 0.296E-02
DAV: 5 -0.122141317846E+03 0.25977E-05 -0.86227E-05 928 0.545E-02
57 F= -.12259592E+03 E0= -.12257715E+03 d E =-.416235E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.122143596487E+03 -0.22760E-02 -0.77096E-01 768 0.436E+00 0.202E-01
DAV: 2 -0.122144967430E+03 -0.13709E-02 -0.16092E-02 896 0.571E-01 0.110E-01
DAV: 3 -0.122144870695E+03 0.96735E-04 -0.32156E-04 1000 0.106E-01 0.689E-02
DAV: 4 -0.122144887054E+03 -0.16360E-04 -0.49681E-04 856 0.131E-01 0.251E-02
DAV: 5 -0.122144884921E+03 0.21334E-05 -0.84599E-05 936 0.516E-02
58 F= -.12259909E+03 E0= -.12258032E+03 d E =-.317073E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.122144669479E+03 0.21758E-03 -0.14944E+00 768 0.607E+00 0.280E-01