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-0.77203E-05 -0.66688E-05 14928 0.112E-02 2 F= -.13989703E+04 E0= -.13988871E+04 d E =0.318720E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.142461366741E+04 -0.25643E+02 -0.15451E+04 18816 0.181E+02 0.813E+01 DAV: 2 -0.154697104749E+04 -0.12236E+03 -0.12646E+03 21928 0.511E+01 0.520E+01 DAV: 3 -0.147780929764E+04 0.69162E+02 -0.13907E+02 23576 0.231E+01 0.339E+01 DAV: 4 -0.147121721963E+04 0.65921E+01 -0.83110E+01 21200 0.123E+01 0.279E+01 DAV: 5 -0.146987733041E+04 0.13399E+01 -0.26649E+01 23232 0.731E+00 0.217E+01 DAV: 6 -0.146779946970E+04 0.20779E+01 -0.13158E+01 22424 0.463E+00 0.214E+01 DAV: 7 -0.146516726624E+04 0.26322E+01 -0.66380E+00 24240 0.340E+00 0.151E+01 DAV: 8 -0.146634708963E+04 -0.11798E+01 -0.97740E+00 23000 0.302E+00 0.173E+01 DAV: 9 -0.146420831398E+04 0.21388E+01 -0.56357E+00 25120 0.294E+00 0.121E+01 DAV: 10 -0.146519148671E+04 -0.98317E+00 -0.68047E+00 25960 0.284E+00 0.157E+01 DAV: 11 -0.146389138822E+04 0.13001E+01 -0.38636E+00 23840 0.191E+00 0.937E+00 DAV: 12 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0.20244E+00 -0.26917E+00 22424 0.781E-01 0.195E+00 DAV: 6 -0.157866810020E+04 -0.69900E-02 -0.56404E-01 21600 0.605E-01 0.224E+00 DAV: 7 -0.157863912602E+04 0.28974E-01 -0.76179E-01 22568 0.426E-01 0.148E+00 DAV: 8 -0.157863993645E+04 -0.81043E-03 -0.10647E-01 22376 0.278E-01 0.122E+00 DAV: 9 -0.157862597885E+04 0.13958E-01 -0.67758E-02 22696 0.199E-01 0.545E-01 DAV: 10 -0.157862392524E+04 0.20536E-02 -0.36438E-02 22136 0.109E-01 0.377E-01 DAV: 11 -0.157862335145E+04 0.57379E-03 -0.16979E-02 22528 0.864E-02 0.290E-01 DAV: 12 -0.157862260067E+04 0.75078E-03 -0.69367E-03 22592 0.604E-02 0.116E-01 DAV: 13 -0.157862251949E+04 0.81173E-04 -0.10592E-03 21488 0.353E-02 0.532E-02 DAV: 14 -0.157862252736E+04 -0.78716E-05 -0.69908E-04 22816 0.246E-02 0.480E-02 DAV: 15 -0.157862249921E+04 0.28150E-04 -0.37343E-04 20448 0.154E-02 0.215E-02 DAV: 16 -0.157862249594E+04 0.32729E-05 -0.60880E-05 13456 0.782E-03 24 F= -.15786225E+04 E0= -.15786118E+04 d E =-.246374E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.157863265821E+04 -0.10159E-01 -0.32696E+00 19008 0.263E+00 0.510E-01 DAV: 2 -0.157864364006E+04 -0.10982E-01 -0.11493E-01 21744 0.405E-01 0.892E-01 DAV: 3 -0.157863877755E+04 0.48625E-02 -0.55631E-02 21992 0.148E-01 0.579E-01 DAV: 4 -0.157863921797E+04 -0.44042E-03 -0.18217E-02 21848 0.103E-01 0.594E-01 DAV: 5 -0.157863601765E+04 0.32003E-02 -0.97750E-03 22096 0.763E-02 0.152E-01 DAV: 6 -0.157863658933E+04 -0.57168E-03 -0.62851E-03 21920 0.598E-02 0.246E-01 DAV: 7 -0.157863602007E+04 0.56926E-03 -0.63774E-03 22136 0.455E-02 0.115E-01 DAV: 8 -0.157863597414E+04 0.45927E-04 -0.17002E-03 22032 0.234E-02 0.715E-02 DAV: 9 -0.157863593962E+04 0.34526E-04 -0.36800E-04 19536 0.151E-02 0.349E-02 DAV: 10 -0.157863593170E+04 0.79205E-05 -0.22521E-04 14280 0.943E-03 0.238E-02 DAV: 11 -0.157863593335E+04 -0.16580E-05 -0.10619E-04 12784 0.579E-03 0.239E-02 DAV: 12 -0.157863592755E+04 0.58027E-05 -0.47425E-05 11264 0.424E-03 25 F= -.15786359E+04 E0= -.15786255E+04 d E =-.247717E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.158019013013E+04 -0.15542E+01 -0.33165E+02 18816 0.267E+01 0.556E+00 DAV: 2 -0.158135184917E+04 -0.11617E+01 -0.13600E+01 21928 0.424E+00 0.726E+00 DAV: 3 -0.158092083208E+04 0.43102E+00 -0.69325E+00 22192 0.157E+00 0.502E+00 DAV: 4 -0.158087394994E+04 0.46882E-01 -0.50096E+00 22096 0.100E+00 0.464E+00 DAV: 5 -0.158062951106E+04 0.24444E+00 -0.17163E+00 22328 0.734E-01 0.174E+00 DAV: 6 -0.158068877548E+04 -0.59264E-01 -0.90043E-01 22032 0.583E-01 0.278E+00 DAV: 7 -0.158062605844E+04 0.62717E-01 -0.35403E-01 21992 0.440E-01 0.156E+00 DAV: 8 -0.158061047648E+04 0.15582E-01 -0.21046E-01 22704 0.300E-01 0.874E-01 DAV: 9 -0.158060748451E+04 0.29920E-02 -0.74151E-02 22296 0.216E-01 0.577E-01 DAV: 10 -0.158060503594E+04 0.24486E-02 -0.32629E-02 22336 0.128E-01 0.343E-01 DAV: 11 -0.158060417099E+04 0.86496E-03 -0.12714E-02 22160 0.795E-02 0.179E-01 DAV: 12 -0.158060390153E+04 0.26946E-03 -0.29524E-03 22104 0.420E-02 0.958E-02 DAV: 13 -0.158060384114E+04 0.60387E-04 -0.11590E-03 21904 0.329E-02 0.540E-02 DAV: 14 -0.158060382276E+04 0.18381E-04 -0.46474E-04 22264 0.236E-02 0.353E-02 DAV: 15 -0.158060380979E+04 0.12967E-04 -0.24399E-04 17632 0.134E-02 0.215E-02 DAV: 16 -0.158060380412E+04 0.56744E-05 -0.58611E-05 12944 0.865E-03 26 F= -.15806038E+04 E0= -.15805973E+04 d E =-.196788E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.158067998627E+04 -0.76176E-01 -0.35699E+01 18816 0.875E+00 0.178E+00 DAV: 2 -0.158082413501E+04 -0.14415E+00 -0.15930E+00 21928 0.138E+00 0.310E+00 DAV: 3 -0.158075941983E+04 0.64715E-01 -0.10453E+00 22208 0.525E-01 0.190E+00 DAV: 4 -0.158076541154E+04 -0.59917E-02 -0.40941E-01 22040 0.349E-01 0.202E+00 DAV: 5 -0.158072762575E+04 0.37786E-01 -0.20690E-01 22408 0.263E-01 0.545E-01 DAV: 6 -0.158073315179E+04 -0.55260E-02 -0.48617E-02 21664 0.183E-01 0.842E-01 DAV: 7 -0.158072738240E+04 0.57694E-02 -0.39547E-02 22152 0.149E-01 0.380E-01 DAV: 8 -0.158072590166E+04 0.14807E-02 -0.12388E-02 21960 0.979E-02 0.151E-01 DAV: 9 -0.158072614435E+04 -0.24269E-03 -0.65867E-03 21928 0.548E-02 0.200E-01 DAV: 10 -0.158072580628E+04 0.33807E-03 -0.42995E-03 22392 0.386E-02 0.915E-02 DAV: 11 -0.158072574584E+04 0.60444E-04 -0.75598E-04 22400 0.215E-02 0.523E-02 DAV: 12 -0.158072572655E+04 0.19286E-04 -0.22769E-04 18480 0.146E-02 0.414E-02 DAV: 13 -0.158072570855E+04 0.18007E-04 -0.26610E-04 15304 0.123E-02 0.267E-02 DAV: 14 -0.158072569329E+04 0.15261E-04 -0.11834E-04 15704 0.138E-02 0.167E-02 DAV: 15 -0.158072568652E+04 0.67617E-05 -0.47191E-05 14656 0.881E-03 27 F= -.15807257E+04 E0= -.15807214E+04 d E =-.208976E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.158213532255E+04 -0.14096E+01 -0.32721E+02 18816 0.265E+01 0.508E+00 DAV: 2 -0.158344128729E+04 -0.13060E+01 -0.15294E+01 21712 0.411E+00 0.669E+00 DAV: 3 -0.158279405583E+04 0.64723E+00 -0.46793E+00 22016 0.150E+00 0.375E+00 DAV: 4 -0.158279891182E+04 -0.48560E-02 -0.30687E+00 21632 0.867E-01 0.460E+00 DAV: 5 -0.158267293681E+04 0.12598E+00 -0.29818E+00 22544 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-0.72851E-01 -0.36006E+02 18816 0.277E+01 0.523E+00 DAV: 2 -0.158399047839E+04 -0.13071E+01 -0.15938E+01 21792 0.427E+00 0.608E+00 DAV: 3 -0.158341390855E+04 0.57657E+00 -0.50262E+00 22144 0.154E+00 0.385E+00 DAV: 4 -0.158342840847E+04 -0.14500E-01 -0.36137E+00 21992 0.873E-01 0.427E+00 DAV: 5 -0.158327628296E+04 0.15213E+00 -0.23732E+00 22688 0.709E-01 0.230E+00 DAV: 6 -0.158327414988E+04 0.21331E-02 -0.90712E-01 22920 0.482E-01 0.181E+00 DAV: 7 -0.158323846037E+04 0.35690E-01 -0.25763E-01 21848 0.453E-01 0.119E+00 DAV: 8 -0.158323531029E+04 0.31501E-02 -0.25524E-01 22528 0.289E-01 0.860E-01 DAV: 9 -0.158322895874E+04 0.63516E-02 -0.48471E-02 22200 0.167E-01 0.454E-01 DAV: 10 -0.158322765747E+04 0.13013E-02 -0.17048E-02 21808 0.101E-01 0.319E-01 DAV: 11 -0.158322726591E+04 0.39155E-03 -0.65604E-03 21984 0.590E-02 0.214E-01 DAV: 12 -0.158322694545E+04 0.32046E-03 -0.40972E-03 22264 0.409E-02 0.114E-01 DAV: 13 -0.158322685740E+04 0.88054E-04 -0.10034E-03 21888 0.308E-02 0.502E-02 DAV: 14 -0.158322683392E+04 0.23483E-04 -0.39417E-04 22216 0.242E-02 0.296E-02 DAV: 15 -0.158322682365E+04 0.10266E-04 -0.11884E-04 19968 0.148E-02 0.181E-02 DAV: 16 -0.158322681936E+04 0.42960E-05 -0.21607E-05 13032 0.837E-03 29 F= -.15832268E+04 E0= -.15832190E+04 d E =-.250113E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.158460124803E+04 -0.13744E+01 -0.43196E+02 18816 0.302E+01 0.591E+00 DAV: 2 -0.158596162920E+04 -0.13604E+01 -0.21432E+01 21672 0.485E+00 0.523E+00 DAV: 3 -0.158567066082E+04 0.29097E+00 -0.63877E+00 22024 0.182E+00 0.612E+00 DAV: 4 -0.158535121659E+04 0.31944E+00 -0.52930E+00 21936 0.910E-01 0.397E+00 DAV: 5 -0.158525203939E+04 0.99177E-01 -0.15667E+00 22816 0.683E-01 0.275E+00 DAV: 6 -0.158523525090E+04 0.16788E-01 -0.10960E+00 22104 0.727E-01 0.219E+00 DAV: 7 -0.158519372351E+04 0.41527E-01 -0.42568E-01 23000 0.486E-01 0.136E+00 DAV: 8 -0.158519682906E+04 -0.31055E-02 -0.18769E-01 22352 0.395E-01 0.155E+00 DAV: 9 -0.158518104000E+04 0.15789E-01 -0.15807E-01 22816 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-0.159754786385E+04 0.49587E-01 -0.19286E-01 22296 0.346E-01 0.847E-01 DAV: 6 -0.159756946345E+04 -0.21600E-01 -0.15814E-01 22920 0.258E-01 0.198E+00 DAV: 7 -0.159754959251E+04 0.19871E-01 -0.13696E-01 23208 0.269E-01 0.891E-01 DAV: 8 -0.159754240873E+04 0.71838E-02 -0.19382E-02 22376 0.142E-01 0.405E-01 DAV: 9 -0.159754124324E+04 0.11655E-02 -0.83094E-03 22272 0.100E-01 0.139E-01 DAV: 10 -0.159754126495E+04 -0.21711E-04 -0.22488E-03 21704 0.475E-02 0.963E-02 DAV: 11 -0.159754118728E+04 0.77670E-04 -0.34349E-04 21392 0.213E-02 0.483E-02 DAV: 12 -0.159754117709E+04 0.10191E-04 -0.16933E-04 20432 0.166E-02 0.322E-02 DAV: 13 -0.159754117117E+04 0.59203E-05 -0.98260E-05 14344 0.102E-02 42 F= -.15975412E+04 E0= -.15975158E+04 d E =-.953465E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.159772891640E+04 -0.18774E+00 -0.32965E+02 18816 0.265E+01 0.508E+00 DAV: 2 -0.159919914591E+04 -0.14702E+01 -0.20324E+01 21768 0.423E+00 0.626E+00 DAV: 3 -0.159844121552E+04 0.75793E+00 -0.48030E+00 22880 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-0.61905E+00 -0.10160E+02 18816 0.147E+01 0.256E+00 DAV: 2 -0.159940633836E+04 -0.58768E+00 -0.74580E+00 21712 0.223E+00 0.606E+00 DAV: 3 -0.159902869633E+04 0.37764E+00 -0.41145E+00 22496 0.890E-01 0.260E+00 DAV: 4 -0.159901904785E+04 0.96485E-02 -0.13196E+00 22264 0.476E-01 0.202E+00 DAV: 5 -0.159897240066E+04 0.46647E-01 -0.12710E-01 22200 0.341E-01 0.913E-01 DAV: 6 -0.159898429300E+04 -0.11892E-01 -0.31788E-01 22656 0.243E-01 0.139E+00 DAV: 7 -0.159896635274E+04 0.17940E-01 -0.75123E-02 21992 0.232E-01 0.433E-01 DAV: 8 -0.159896544702E+04 0.90572E-03 -0.92768E-03 21904 0.114E-01 0.174E-01 DAV: 9 -0.159896539508E+04 0.51944E-04 -0.14528E-03 21608 0.529E-02 0.830E-02 DAV: 10 -0.159896538555E+04 0.95317E-05 -0.30424E-04 21856 0.226E-02 0.466E-02 DAV: 11 -0.159896537157E+04 0.13976E-04 -0.12002E-04 20616 0.182E-02 0.353E-02 DAV: 12 -0.159896536080E+04 0.10770E-04 -0.68171E-05 15136 0.121E-02 0.160E-02 DAV: 13 -0.159896535968E+04 0.11214E-05 -0.27959E-05 11840 0.629E-03 44 F= -.15989654E+04 E0= -.15989436E+04 d E =-.765746E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.159908061583E+04 -0.11526E+00 -0.20366E+02 18816 0.208E+01 0.360E+00 DAV: 2 -0.160009324215E+04 -0.10126E+01 -0.13131E+01 21688 0.314E+00 0.683E+00 DAV: 3 -0.159952708153E+04 0.56616E+00 -0.58497E+00 22568 0.120E+00 0.360E+00 DAV: 4 -0.159947100293E+04 0.56079E-01 -0.21808E+00 22216 0.654E-01 0.255E+00 DAV: 5 -0.159939848382E+04 0.72519E-01 -0.22928E-01 22160 0.462E-01 0.135E+00 DAV: 6 -0.159941131243E+04 -0.12829E-01 -0.56818E-01 23144 0.324E-01 0.165E+00 DAV: 7 -0.159938864972E+04 0.22663E-01 -0.83537E-02 21816 0.314E-01 0.861E-01 DAV: 8 -0.159938369276E+04 0.49570E-02 -0.21091E-02 21944 0.178E-01 0.484E-01 DAV: 9 -0.159938235569E+04 0.13371E-02 -0.11773E-02 22040 0.112E-01 0.263E-01 DAV: 10 -0.159938225289E+04 0.10280E-03 -0.52946E-03 21680 0.543E-02 0.120E-01 DAV: 11 -0.159938218476E+04 0.68131E-04 -0.79115E-04 21816 0.288E-02 0.705E-02 DAV: 12 -0.159938216122E+04 0.23535E-04 -0.15900E-04 21552 0.195E-02 0.451E-02 DAV: 13 -0.159938214385E+04 0.17374E-04 -0.99352E-05 14760 0.124E-02 0.133E-02 DAV: 14 -0.159938214807E+04 -0.42216E-05 -0.31435E-05 12632 0.703E-03 45 F= -.15993821E+04 E0= -.15993614E+04 d E =-.118253E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.159996905445E+04 -0.58691E+00 -0.94808E+01 18816 0.141E+01 0.257E+00 DAV: 2 -0.160047338522E+04 -0.50433E+00 -0.61299E+00 21728 0.211E+00 0.639E+00 DAV: 3 -0.160015016973E+04 0.32322E+00 -0.43958E+00 22560 0.810E-01 0.200E+00 DAV: 4 -0.160016078938E+04 -0.10620E-01 -0.79758E-01 22296 0.454E-01 0.164E+00 DAV: 5 -0.160012586275E+04 0.34927E-01 -0.21290E-01 22544 0.316E-01 0.129E+00 DAV: 6 -0.160011730450E+04 0.85583E-02 -0.16440E-01 22736 0.230E-01 0.975E-01 DAV: 7 -0.160011203963E+04 0.52649E-02 -0.86290E-02 21624 0.238E-01 0.540E-01 DAV: 8 -0.160011040286E+04 0.16368E-02 -0.27193E-02 22168 0.126E-01 0.282E-01 DAV: 9 -0.160010994221E+04 0.46065E-03 -0.26070E-03 21112 0.586E-02 0.749E-02 DAV: 10 -0.160010994906E+04 -0.68497E-05 -0.39497E-04 21392 0.271E-02 0.495E-02 DAV: 11 -0.160010992915E+04 0.19906E-04 -0.79306E-05 18368 0.146E-02 0.298E-02 DAV: 12 -0.160010993387E+04 -0.47205E-05 -0.16183E-04 17360 0.121E-02 0.402E-02 DAV: 13 -0.160010992201E+04 0.11868E-04 -0.88429E-05 13336 0.667E-03 0.972E-03 DAV: 14 -0.160010992134E+04 0.66815E-06 -0.35857E-06 10976 0.345E-03 46 F= -.16001099E+04 E0= -.16000895E+04 d E =-.727773E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.160020227002E+04 -0.92348E-01 -0.13442E+02 18816 0.168E+01 0.303E+00 DAV: 2 -0.160083601446E+04 -0.63374E+00 -0.78060E+00 21624 0.249E+00 0.675E+00 DAV: 3 -0.160046925483E+04 0.36676E+00 -0.54972E+00 22560 0.930E-01 0.218E+00 DAV: 4 -0.160046065469E+04 0.86001E-02 -0.78593E-01 22088 0.506E-01 0.170E+00 DAV: 5 -0.160042876060E+04 0.31894E-01 -0.31432E-01 22680 0.352E-01 0.142E+00 DAV: 6 -0.160042113802E+04 0.76226E-02 -0.25351E-01 22992 0.275E-01 0.131E+00 DAV: 7 -0.160041072520E+04 0.10413E-01 -0.19253E-01 21736 0.280E-01 0.647E-01 DAV: 8 -0.160040833646E+04 0.23887E-02 -0.10943E-02 21680 0.133E-01 0.182E-01 DAV: 9 -0.160040826417E+04 0.72295E-04 -0.22521E-03 21464 0.618E-02 0.886E-02 DAV: 10 -0.160040824660E+04 0.17573E-04 -0.35977E-04 21760 0.242E-02 0.565E-02 DAV: 11 -0.160040825106E+04 -0.44604E-05 -0.34851E-04 20672 0.191E-02 0.675E-02 DAV: 12 -0.160040821553E+04 0.35527E-04 -0.17525E-04 15528 0.117E-02 0.141E-02 DAV: 13 -0.160040821498E+04 0.54827E-06 -0.10872E-05 11768 0.562E-03 47 F= -.16004082E+04 E0= -.16003885E+04 d E =-.102607E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.160087444250E+04 -0.46623E+00 -0.14109E+02 18816 0.173E+01 0.303E+00 DAV: 2 -0.160174231903E+04 -0.86788E+00 -0.11036E+01 21824 0.269E+00 0.735E+00 DAV: 3 -0.160115671411E+04 0.58560E+00 -0.60120E+00 22288 0.110E+00 0.255E+00 DAV: 4 -0.160114547398E+04 0.11240E-01 -0.14765E+00 22416 0.552E-01 0.176E+00 DAV: 5 -0.160113303081E+04 0.12443E-01 -0.52407E-01 22160 0.404E-01 0.181E+00 DAV: 6 -0.160109250698E+04 0.40524E-01 -0.14714E-01 22312 0.296E-01 0.759E-01 DAV: 7 -0.160109765973E+04 -0.51527E-02 -0.13766E-01 22104 0.321E-01 0.126E+00 DAV: 8 -0.160108918436E+04 0.84754E-02 -0.15042E-01 22496 0.230E-01 0.505E-01 DAV: 9 -0.160108742423E+04 0.17601E-02 -0.79769E-03 21344 0.949E-02 0.144E-01 DAV: 10 -0.160108725843E+04 0.16580E-03 -0.10842E-03 21976 0.433E-02 0.848E-02 DAV: 11 -0.160108711849E+04 0.13994E-03 -0.26840E-04 23336 0.324E-02 0.382E-02 DAV: 12 -0.160108705886E+04 0.59635E-04 -0.38826E-04 22960 0.353E-02 0.588E-02 DAV: 13 -0.160108699857E+04 0.60281E-04 -0.22100E-04 22448 0.277E-02 0.157E-02 DAV: 14 -0.160108699097E+04 0.75997E-05 -0.47521E-05 18008 0.133E-02 48 F= -.16010870E+04 E0= -.16010646E+04 d E =-.678776E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.160112461488E+04 -0.37616E-01 -0.11573E+02 18816 0.157E+01 0.271E+00 DAV: 2 -0.160181582786E+04 -0.69121E+00 -0.87288E+00 21768 0.241E+00 0.743E+00 DAV: 3 -0.160134373620E+04 0.47209E+00 -0.60413E+00 22232 0.976E-01 0.203E+00 DAV: 4 -0.160134199146E+04 0.17447E-02 -0.74293E-01 22184 0.500E-01 0.165E+00 DAV: 5 -0.160133531345E+04 0.66780E-02 -0.44722E-01 22256 0.360E-01 0.162E+00 DAV: 6 -0.160130083612E+04 0.34477E-01 -0.11470E-01 22240 0.268E-01 0.593E-01 DAV: 7 -0.160130395187E+04 -0.31158E-02 -0.64039E-02 21944 0.279E-01 0.884E-01 DAV: 8 -0.160130013754E+04 0.38143E-02 -0.71199E-02 22584 0.197E-01 0.441E-01 DAV: 9 -0.160129842277E+04 0.17148E-02 -0.62557E-03 21288 0.778E-02 0.133E-01 DAV: 10 -0.160129835438E+04 0.68385E-04 -0.55270E-04 21800 0.340E-02 0.898E-02 DAV: 11 -0.160129827526E+04 0.79120E-04 -0.27495E-04 22224 0.204E-02 0.305E-02 DAV: 12 -0.160129827348E+04 0.17792E-05 -0.12291E-04 18144 0.144E-02 0.264E-02 DAV: 13 -0.160129826772E+04 0.57636E-05 -0.31530E-05 12656 0.849E-03 49 F= -.16012983E+04 E0= -.16012778E+04 d E =-.890053E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.160163914643E+04 -0.34087E+00 -0.18435E+02 18816 0.198E+01 0.313E+00 DAV: 2 -0.160244336587E+04 -0.80422E+00 -0.99651E+00 21632 0.293E+00 0.762E+00 DAV: 3 -0.160200165132E+04 0.44171E+00 -0.71403E+00 22216 0.102E+00 0.212E+00 DAV: 4 -0.160198198156E+04 0.19670E-01 -0.21233E-01 21840 0.519E-01 0.199E+00 DAV: 5 -0.160196531955E+04 0.16662E-01 -0.26369E-01 22216 0.361E-01 0.156E+00 DAV: 6 -0.160194896434E+04 0.16355E-01 -0.14840E-01 21952 0.328E-01 0.121E+00 DAV: 7 -0.160194364461E+04 0.53197E-02 -0.18607E-01 22208 0.316E-01 0.797E-01 DAV: 8 -0.160193887495E+04 0.47697E-02 -0.38441E-02 21424 0.154E-01 0.289E-01 DAV: 9 -0.160193770600E+04 0.11689E-02 -0.39982E-03 21744 0.829E-02 0.168E-01 DAV: 10 -0.160193726762E+04 0.43838E-03 -0.15316E-03 21848 0.469E-02 0.778E-02 DAV: 11 -0.160193720087E+04 0.66756E-04 -0.88070E-04 22152 0.328E-02 0.539E-02 DAV: 12 -0.160193717067E+04 0.30196E-04 -0.14958E-04 21624 0.202E-02 0.274E-02 DAV: 13 -0.160193716667E+04 0.39999E-05 -0.35171E-05 14344 0.817E-03 50 F= -.16019372E+04 E0= -.16019206E+04 d E =-.638899E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.160194234383E+04 -0.51732E-02 -0.47922E+01 18816 0.101E+01 0.161E+00 DAV: 2 -0.160218480667E+04 -0.24246E+00 -0.27833E+00 21640 0.150E+00 0.494E+00 DAV: 3 -0.160202968086E+04 0.15513E+00 -0.22423E+00 22168 0.552E-01 0.115E+00 DAV: 4 -0.160202576810E+04 0.39128E-02 -0.23351E-02 21000 0.259E-01 0.859E-01 DAV: 5 -0.160202638496E+04 -0.61687E-03 -0.90899E-02 22504 0.183E-01 0.878E-01 DAV: 6 -0.160201935158E+04 0.70334E-02 -0.27522E-02 21888 0.194E-01 0.377E-01 DAV: 7 -0.160201875837E+04 0.59321E-03 -0.17220E-02 22048 0.115E-01 0.235E-01 DAV: 8 -0.160201830585E+04 0.45253E-03 -0.28324E-03 21224 0.530E-02 0.844E-02 DAV: 9 -0.160201826794E+04 0.37905E-04 -0.47678E-04 21824 0.324E-02 0.372E-02 DAV: 10 -0.160201826043E+04 0.75168E-05 -0.54535E-05 19800 0.153E-02 51 F= -.16020183E+04 E0= -.16020038E+04 d E =-.719993E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.160232847778E+04 -0.31021E+00 -0.13467E+02 18816 0.169E+01 0.250E+00 DAV: 2 -0.160269384226E+04 -0.36536E+00 -0.37152E+00 21632 0.240E+00 0.423E+00 DAV: 3 -0.160261853118E+04 0.75311E-01 -0.11969E+00 22408 0.755E-01 0.212E+00 DAV: 4 -0.160256688091E+04 0.51650E-01 -0.58353E-02 21392 0.389E-01 0.105E+00 DAV: 5 -0.160259117943E+04 -0.24299E-01 -0.44126E-01 22072 0.340E-01 0.171E+00 DAV: 6 -0.160255745739E+04 0.33722E-01 -0.31893E-02 22128 0.306E-01 0.670E-01 DAV: 7 -0.160255551714E+04 0.19402E-02 -0.17062E-02 21552 0.143E-01 0.223E-01 DAV: 8 -0.160255559103E+04 -0.73888E-04 -0.32004E-03 21352 0.933E-02 0.124E-01 DAV: 9 -0.160255558294E+04 0.80901E-05 -0.10352E-03 22216 0.390E-02 0.738E-02 DAV: 10 -0.160255557257E+04 0.10371E-04 -0.30649E-04 21808 0.225E-02 0.631E-02 DAV: 11 -0.160255554216E+04 0.30414E-04 -0.12661E-04 15888 0.150E-02 0.291E-02 DAV: 12 -0.160255553732E+04 0.48374E-05 -0.21578E-05 12576 0.782E-03 52 F= -.16025555E+04 E0= -.16025423E+04 d E =-.537277E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.160247793682E+04 0.77605E-01 -0.16012E+02 18816 0.185E+01 0.272E+00 DAV: 2 -0.160292996759E+04 -0.45203E+00 -0.47569E+00 21632 0.262E+00 0.491E+00 DAV: 3 -0.160281983907E+04 0.11013E+00 -0.19695E+00 22376 0.836E-01 0.225E+00 DAV: 4 -0.160276369107E+04 0.56148E-01 -0.56506E-02 21128 0.429E-01 0.117E+00 DAV: 5 -0.160278431029E+04 -0.20619E-01 -0.47976E-01 22280 0.357E-01 0.171E+00 DAV: 6 -0.160274989247E+04 0.34418E-01 -0.48570E-02 22080 0.345E-01 0.684E-01 DAV: 7 -0.160274791964E+04 0.19728E-02 -0.13148E-02 21440 0.159E-01 0.222E-01 DAV: 8 -0.160274799055E+04 -0.70911E-04 -0.37668E-03 21336 0.997E-02 0.117E-01 DAV: 9 -0.160274796414E+04 0.26414E-04 -0.73549E-04 22576 0.412E-02 0.694E-02 DAV: 10 -0.160274792886E+04 0.35273E-04 -0.24878E-04 21824 0.258E-02 0.490E-02 DAV: 11 -0.160274790916E+04 0.19708E-04 -0.10409E-04 21200 0.164E-02 0.278E-02 DAV: 12 -0.160274790221E+04 0.69423E-05 -0.23733E-05 13112 0.868E-03 53 F= -.16027479E+04 E0= -.16027280E+04 d E =-.729642E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.160301819232E+04 -0.27028E+00 -0.14508E+02 18816 0.176E+01 0.269E+00 DAV: 2 -0.160353940416E+04 -0.52121E+00 -0.63687E+00 21536 0.259E+00 0.609E+00 DAV: 3 -0.160332134674E+04 0.21806E+00 -0.45769E+00 22280 0.893E-01 0.217E+00 DAV: 4 -0.160333043697E+04 -0.90902E-02 -0.86658E-02 21616 0.494E-01 0.276E+00 DAV: 5 -0.160327707394E+04 0.53363E-01 -0.16881E-01 21960 0.342E-01 0.115E+00 DAV: 6 -0.160326769620E+04 0.93777E-02 -0.41355E-02 21760 0.383E-01 0.727E-01 DAV: 7 -0.160326504964E+04 0.26466E-02 -0.16861E-02 21648 0.184E-01 0.198E-01 DAV: 8 -0.160326506105E+04 -0.11410E-04 -0.25005E-03 21320 0.814E-02 0.976E-02 DAV: 9 -0.160326507154E+04 -0.10497E-04 -0.51267E-04 21768 0.287E-02 0.718E-02 DAV: 10 -0.160326501568E+04 0.55861E-04 -0.23615E-04 20768 0.251E-02 0.218E-02 DAV: 11 -0.160326501363E+04 0.20475E-05 -0.68151E-05 21776 0.171E-02 54 F= -.16032650E+04 E0= -.16032446E+04 d E =-.517111E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.160324062621E+04 0.24389E-01 -0.87625E+01 18816 0.137E+01 0.208E+00 DAV: 2 -0.160354796495E+04 -0.30734E+00 -0.34805E+00 21584 0.200E+00 0.476E+00 DAV: 3 -0.160342041836E+04 0.12755E+00 -0.22329E+00 22328 0.688E-01 0.172E+00 DAV: 4 -0.160342939163E+04 -0.89733E-02 -0.50914E-02 21592 0.384E-01 0.223E+00 DAV: 5 -0.160339460595E+04 0.34786E-01 -0.72769E-02 22048 0.264E-01 0.865E-01 DAV: 6 -0.160338983321E+04 0.47727E-02 -0.27871E-02 21664 0.293E-01 0.531E-01 DAV: 7 -0.160338843402E+04 0.13992E-02 -0.11145E-02 21640 0.138E-01 0.160E-01 DAV: 8 -0.160338840413E+04 0.29891E-04 -0.14237E-03 21392 0.621E-02 0.734E-02 DAV: 9 -0.160338841242E+04 -0.82834E-05 -0.30365E-04 21736 0.217E-02 0.487E-02 DAV: 10 -0.160338839011E+04 0.22307E-04 -0.11079E-04 20032 0.178E-02 0.156E-02 DAV: 11 -0.160338838947E+04 0.63964E-06 -0.29655E-05 13760 0.118E-02 55 F= -.16033884E+04 E0= -.16033690E+04 d E =-.640487E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.160361878925E+04 -0.23040E+00 -0.14869E+02 18816 0.177E+01 0.272E+00 DAV: 2 -0.160411271378E+04 -0.49392E+00 -0.59883E+00 21528 0.257E+00 0.550E+00 DAV: 3 -0.160394914311E+04 0.16357E+00 -0.36608E+00 22216 0.877E-01 0.222E+00 DAV: 4 -0.160393937764E+04 0.97655E-02 -0.11805E-01 21784 0.519E-01 0.259E+00 DAV: 5 -0.160389091462E+04 0.48463E-01 -0.57649E-02 22000 0.361E-01 0.129E+00 DAV: 6 -0.160387606912E+04 0.14846E-01 -0.49945E-02 22000 0.414E-01 0.737E-01 DAV: 7 -0.160387401029E+04 0.20588E-02 -0.32785E-02 21672 0.185E-01 0.280E-01 DAV: 8 -0.160387368420E+04 0.32609E-03 -0.21753E-03 21312 0.726E-02 0.116E-01 DAV: 9 -0.160387372076E+04 -0.36559E-04 -0.68605E-04 21896 0.338E-02 0.709E-02 DAV: 10 -0.160387369002E+04 0.30738E-04 -0.24131E-04 20816 0.213E-02 0.389E-02 DAV: 11 -0.160387368048E+04 0.95349E-05 -0.74017E-05 20896 0.165E-02 56 F= -.16038737E+04 E0= -.16038568E+04 d E =-.485291E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.160370784771E+04 0.16584E+00 -0.20311E+02 18816 0.207E+01 0.312E+00 DAV: 2 -0.160421692087E+04 -0.50907E+00 -0.58286E+00 21512 0.295E+00 0.407E+00 DAV: 3 -0.160415420925E+04 0.62712E-01 -0.25328E+00 22632 0.923E-01 0.210E+00 DAV: 4 -0.160417074179E+04 -0.16533E-01 -0.15376E-01 21856 0.562E-01 0.349E+00 DAV: 5 -0.160408695391E+04 0.83788E-01 -0.74144E-02 22232 0.409E-01 0.137E+00 DAV: 6 -0.160406682303E+04 0.20131E-01 -0.15440E-01 22944 0.507E-01 0.991E-01 DAV: 7 -0.160406091215E+04 0.59109E-02 -0.12902E-01 22064 0.253E-01 0.291E-01 DAV: 8 -0.160406056545E+04 0.34670E-03 -0.39133E-03 20968 0.909E-02 0.130E-01 DAV: 9 -0.160406067096E+04 -0.10551E-03 -0.12655E-03 21928 0.478E-02 0.133E-01 DAV: 10 -0.160406049144E+04 0.17952E-03 -0.70568E-04 22352 0.365E-02 0.681E-02 DAV: 11 -0.160406046068E+04 0.30762E-04 -0.17603E-04 22952 0.233E-02 0.148E-02 DAV: 12 -0.160406046199E+04 -0.13074E-05 -0.28147E-05 14424 0.803E-03 57 F= -.16040605E+04 E0= -.16040486E+04 d E =-.672073E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.160423297514E+04 -0.17251E+00 -0.14094E+02 18816 0.172E+01 0.249E+00 DAV: 2 -0.160457741590E+04 -0.34444E+00 -0.39204E+00 21560 0.242E+00 0.310E+00 DAV: 3 -0.160453508633E+04 0.42330E-01 -0.18567E+00 22912 0.706E-01 0.153E+00 DAV: 4 -0.160453687242E+04 -0.17861E-02 -0.73861E-02 21816 0.416E-01 0.254E+00 DAV: 5 -0.160449533263E+04 0.41540E-01 -0.36140E-02 22472 0.290E-01 0.107E+00 DAV: 6 -0.160449388775E+04 0.14449E-02 -0.18983E-01 22896 0.410E-01 0.121E+00 DAV: 7 -0.160448220686E+04 0.11681E-01 -0.17058E-01 22408 0.234E-01 0.236E-01 DAV: 8 -0.160448235356E+04 -0.14670E-03 -0.30422E-03 20856 0.807E-02 0.111E-01 DAV: 9 -0.160448241738E+04 -0.63820E-04 -0.10825E-03 21632 0.505E-02 0.115E-01 DAV: 10 -0.160448229796E+04 0.11943E-03 -0.53177E-04 22792 0.318E-02 0.653E-02 DAV: 11 -0.160448227679E+04 0.21167E-04 -0.11960E-04 21264 0.193E-02 0.338E-02 DAV: 12 -0.160448226572E+04 0.11071E-04 -0.35094E-05 14368 0.795E-03 0.689E-03 DAV: 13 -0.160448226619E+04 -0.47748E-06 -0.46892E-06 11168 0.357E-03 58 F= -.16044823E+04 E0= -.16044758E+04 d E =-.421804E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.160425007258E+04 0.23219E+00 -0.23672E+02 18816 0.223E+01 0.321E+00 DAV: 2 -0.160478872040E+04 -0.53865E+00 -0.62789E+00 21456 0.313E+00 0.320E+00 DAV: 3 -0.160475008100E+04 0.38639E-01 -0.27462E+00 23376 0.881E-01 0.166E+00 DAV: 4 -0.160472180338E+04 0.28278E-01 -0.89808E-02 21856 0.474E-01 0.196E+00 DAV: 5 -0.160470762386E+04 0.14180E-01 -0.43367E-02 22520 0.313E-01 0.144E+00 DAV: 6 -0.160468850085E+04 0.19123E-01 -0.17927E-01 24480 0.510E-01 0.124E+00 DAV: 7 -0.160467724956E+04 0.11251E-01 -0.23880E-01 22456 0.290E-01 0.345E-01 DAV: 8 -0.160467652201E+04 0.72755E-03 -0.47193E-03 20848 0.103E-01 0.189E-01 DAV: 9 -0.160467627814E+04 0.24386E-03 -0.17083E-03 21504 0.701E-02 0.129E-01 DAV: 10 -0.160467610986E+04 0.16828E-03 -0.61218E-04 24424 0.445E-02 0.668E-02 DAV: 11 -0.160467609116E+04 0.18700E-04 -0.17800E-04 21432 0.246E-02 0.366E-02 DAV: 12 -0.160467608227E+04 0.88873E-05 -0.31913E-05 15784 0.107E-02 59 F= -.16046761E+04 E0= -.16046710E+04 d E =-.615620E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.160484354633E+04 -0.16746E+00 -0.14762E+02 18816 0.177E+01 0.262E+00 DAV: 2 -0.160516729941E+04 -0.32375E+00 -0.34982E+00 21520 0.249E+00 0.229E+00 DAV: 3 -0.160520687243E+04 -0.39573E-01 -0.11455E+00 22848 0.693E-01 0.221E+00 DAV: 4 -0.160511955959E+04 0.87313E-01 -0.87443E-02 22104 0.443E-01 0.130E+00 DAV: 5 -0.160511667989E+04 0.28797E-02 -0.27511E-01 22960 0.290E-01 0.988E-01 DAV: 6 -0.160512413025E+04 -0.74504E-02 -0.36780E-02 21904 0.373E-01 0.179E+00 DAV: 7 -0.160510346212E+04 0.20668E-01 -0.38879E-02 22592 0.258E-01 0.427E-01 DAV: 8 -0.160510325505E+04 0.20707E-03 -0.55876E-03 20432 0.102E-01 0.147E-01 DAV: 9 -0.160510343388E+04 -0.17882E-03 -0.17703E-03 21448 0.600E-02 0.188E-01 DAV: 10 -0.160510313781E+04 0.29606E-03 -0.62635E-04 22272 0.303E-02 0.514E-02 DAV: 11 -0.160510314201E+04 -0.41951E-05 -0.14347E-04 21416 0.211E-02 0.250E-02 DAV: 12 -0.160510313893E+04 0.30830E-05 -0.20948E-05 13416 0.876E-03 60 F= -.16051031E+04 E0= -.16050975E+04 d E =-.427057E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.160499930363E+04 0.10384E+00 -0.13235E+02 18816 0.167E+01 0.248E+00 DAV: 2 -0.160529110963E+04 -0.29181E+00 -0.31368E+00 21528 0.235E+00 0.224E+00 DAV: 3 -0.160532664784E+04 -0.35538E-01 -0.11377E+00 22736 0.658E-01 0.216E+00 DAV: 4 -0.160524888789E+04 0.77760E-01 -0.69691E-02 22056 0.426E-01 0.135E+00 DAV: 5 -0.160524364569E+04 0.52422E-02 -0.26251E-01 23040 0.277E-01 0.985E-01 DAV: 6 -0.160525019051E+04 -0.65448E-02 -0.34841E-02 21808 0.361E-01 0.168E+00 DAV: 7 -0.160523210126E+04 0.18089E-01 -0.39258E-02 22448 0.243E-01 0.410E-01 DAV: 8 -0.160523187172E+04 0.22954E-03 -0.53352E-03 20432 0.970E-02 0.143E-01 DAV: 9 -0.160523203119E+04 -0.15947E-03 -0.15993E-03 21472 0.572E-02 0.180E-01 DAV: 10 -0.160523176429E+04 0.26690E-03 -0.64083E-04 22280 0.288E-02 0.514E-02 DAV: 11 -0.160523176673E+04 -0.24444E-05 -0.13116E-04 21120 0.195E-02 0.211E-02 DAV: 12 -0.160523176506E+04 0.16687E-05 -0.17699E-05 12720 0.798E-03 61 F= -.16052318E+04 E0= -.16052252E+04 d E =-.555683E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.160531778580E+04 -0.86019E-01 -0.18346E+02 18816 0.197E+01 0.295E+00 DAV: 2 -0.160574568761E+04 -0.42790E+00 -0.53345E+00 21624 0.282E+00 0.225E+00 DAV: 3 -0.160574256383E+04 0.31238E-02 -0.35218E-01 21920 0.771E-01 0.219E+00 DAV: 4 -0.160564076150E+04 0.10180E+00 -0.11250E-01 22264 0.494E-01 0.993E-01 DAV: 5 -0.160563585647E+04 0.49050E-02 -0.58332E-02 21488 0.420E-01 0.948E-01 DAV: 6 -0.160564572658E+04 -0.98701E-02 -0.28325E-02 24744 0.362E-01 0.117E+00 DAV: 7 -0.160563133516E+04 0.14391E-01 -0.18394E-02 23424 0.243E-01 0.429E-01 DAV: 8 -0.160563190374E+04 -0.56858E-03 -0.24394E-02 23072 0.121E-01 0.399E-01 DAV: 9 -0.160563081256E+04 0.10912E-02 -0.56930E-03 22584 0.669E-02 0.182E-01 DAV: 10 -0.160563068550E+04 0.12706E-03 -0.14683E-03 22048 0.368E-02 0.120E-01 DAV: 11 -0.160563058647E+04 0.99028E-04 -0.20509E-04 21056 0.211E-02 0.508E-02 DAV: 12 -0.160563056452E+04 0.21954E-04 -0.56469E-05 16752 0.135E-02 0.164E-02 DAV: 13 -0.160563056517E+04 -0.64625E-06 -0.11836E-05 11712 0.561E-03 62 F= -.16056306E+04 E0= -.16056232E+04 d E =-.398800E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.160560614395E+04 0.24421E-01 -0.44384E+01 18816 0.970E+00 0.145E+00 DAV: 2 -0.160572037045E+04 -0.11423E+00 -0.12013E+00 21696 0.138E+00 0.137E+00 DAV: 3 -0.160570037943E+04 0.19991E-01 -0.34318E-01 22352 0.392E-01 0.128E+00 DAV: 4 -0.160568906598E+04 0.11313E-01 -0.61743E-02 22880 0.247E-01 0.104E+00 DAV: 5 -0.160568365446E+04 0.54115E-02 -0.15963E-02 22480 0.191E-01 0.612E-01 DAV: 6 -0.160568225632E+04 0.13981E-02 -0.42375E-02 22176 0.222E-01 0.524E-01 DAV: 7 -0.160568008419E+04 0.21721E-02 -0.25648E-02 22456 0.113E-01 0.132E-01 DAV: 8 -0.160568019120E+04 -0.10701E-03 -0.23274E-03 21368 0.511E-02 0.909E-02 DAV: 9 -0.160568017622E+04 0.14978E-04 -0.11302E-03 22312 0.234E-02 0.786E-02 DAV: 10 -0.160568011574E+04 0.60485E-04 -0.20179E-04 17792 0.162E-02 0.195E-02 DAV: 11 -0.160568011507E+04 0.66475E-06 -0.20066E-05 13176 0.804E-03 63 F= -.16056801E+04 E0= -.16056723E+04 d E =-.448350E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.160569782566E+04 -0.17710E-01 -0.18473E+02 18816 0.198E+01 0.291E+00 DAV: 2 -0.160607349372E+04 -0.37567E+00 -0.43564E+00 21504 0.274E+00 0.190E+00 DAV: 3 -0.160609348377E+04 -0.19990E-01 -0.12026E+00 22128 0.683E-01 0.256E+00 DAV: 4 -0.160604073937E+04 0.52744E-01 -0.30079E-01 22448 0.444E-01 0.161E+00 DAV: 5 -0.160603136276E+04 0.93766E-02 -0.37292E-02 22032 0.306E-01 0.161E+00 DAV: 6 -0.160601396296E+04 0.17400E-01 -0.19966E-01 21752 0.401E-01 0.600E-01 DAV: 7 -0.160601195054E+04 0.20124E-02 -0.22469E-02 21416 0.181E-01 0.196E-01 DAV: 8 -0.160601189431E+04 0.56230E-04 -0.52741E-03 21608 0.110E-01 0.108E-01 DAV: 9 -0.160601183938E+04 0.54935E-04 -0.44120E-04 21592 0.372E-02 0.576E-02 DAV: 10 -0.160601182115E+04 0.18228E-04 -0.14943E-04 21744 0.229E-02 0.306E-02 DAV: 11 -0.160601181374E+04 0.74145E-05 -0.92565E-05 16192 0.137E-02 64 F= -.16060118E+04 E0= -.16060035E+04 d E =-.331699E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.160600656256E+04 0.52586E-02 -0.10596E+01 18816 0.474E+00 0.692E-01 DAV: 2 -0.160602815471E+04 -0.21592E-01 -0.24981E-01 21496 0.654E-01 0.536E-01 DAV: 3 -0.160603293535E+04 -0.47806E-02 -0.12918E-01 22736 0.180E-01 0.963E-01 DAV: 4 -0.160602461650E+04 0.83188E-02 -0.50229E-02 22992 0.122E-01 0.271E-01 DAV: 5 -0.160602734149E+04 -0.27250E-02 -0.43700E-03 21736 0.899E-02 0.646E-01 DAV: 6 -0.160602404855E+04 0.32929E-02 -0.68209E-03 21736 0.988E-02 0.735E-02 DAV: 7 -0.160602428107E+04 -0.23252E-03 -0.72059E-04 20984 0.431E-02 0.490E-02 DAV: 8 -0.160602427555E+04 0.55188E-05 -0.29329E-04 21464 0.279E-02 0.237E-02 DAV: 9 -0.160602427317E+04 0.23818E-05 -0.23591E-05 14224 0.881E-03 65 F= -.16060243E+04 E0= -.16060158E+04 d E =-.344158E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.160607547592E+04 -0.51200E-01 -0.15483E+02 18816 0.181E+01 0.262E+00 DAV: 2 -0.160643037163E+04 -0.35490E+00 -0.37394E+00 21520 0.255E+00 0.330E+00 DAV: 3 -0.160642869970E+04 0.16719E-02 -0.12678E+00 23104 0.768E-01 0.205E+00 DAV: 4 -0.160639823260E+04 0.30467E-01 -0.61430E-02 21744 0.443E-01 0.218E+00 DAV: 5 -0.160636059531E+04 0.37637E-01 -0.43593E-02 22336 0.291E-01 0.122E+00 DAV: 6 -0.160636365384E+04 -0.30585E-02 -0.13225E-01 22384 0.458E-01 0.168E+00 DAV: 7 -0.160634520098E+04 0.18453E-01 -0.15647E-01 22320 0.284E-01 0.383E-01 DAV: 8 -0.160634548913E+04 -0.28815E-03 -0.53413E-03 20792 0.102E-01 0.157E-01 DAV: 9 -0.160634548880E+04 0.33675E-06 -0.15442E-03 21520 0.631E-02 0.158E-01 DAV: 10 -0.160634528052E+04 0.20828E-03 -0.24441E-03 24232 0.429E-02 0.934E-02 DAV: 11 -0.160634526445E+04 0.16067E-04 -0.15816E-04 21576 0.257E-02 0.784E-02 DAV: 12 -0.160634520569E+04 0.58760E-04 -0.25755E-04 21280 0.148E-02 0.131E-02 DAV: 13 -0.160634520714E+04 -0.14456E-05 -0.12224E-05 13320 0.802E-03 66 F= -.16063452E+04 E0= -.16063333E+04 d E =-.320934E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.160632241130E+04 0.22794E-01 -0.35614E+01 18816 0.869E+00 0.125E+00 DAV: 2 -0.160640457886E+04 -0.82168E-01 -0.86539E-01 21552 0.122E+00 0.158E+00 DAV: 3 -0.160640542820E+04 -0.84934E-03 -0.27674E-01 22624 0.369E-01 0.127E+00 DAV: 4 -0.160638952984E+04 0.15898E-01 -0.13231E-02 22008 0.218E-01 0.828E-01 DAV: 5 -0.160638626083E+04 0.32690E-02 -0.47846E-02 22248 0.129E-01 0.540E-01 DAV: 6 -0.160638474925E+04 0.15116E-02 -0.93111E-03 21768 0.182E-01 0.435E-01 DAV: 7 -0.160638341690E+04 0.13323E-02 -0.13277E-02 21976 0.943E-02 0.901E-02 DAV: 8 -0.160638346339E+04 -0.46494E-04 -0.77154E-04 20976 0.429E-02 0.484E-02 DAV: 9 -0.160638348618E+04 -0.22782E-04 -0.26508E-04 22312 0.163E-02 0.641E-02 DAV: 10 -0.160638343871E+04 0.47463E-04 -0.24892E-04 14960 0.151E-02 0.131E-02 DAV: 11 -0.160638343869E+04 0.25189E-07 -0.21090E-05 13352 0.100E-02 67 F= -.16063834E+04 E0= -.16063696E+04 d E =-.359166E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.160641834964E+04 -0.34911E-01 -0.16920E+02 18816 0.189E+01 0.270E+00 DAV: 2 -0.160678245434E+04 -0.36410E+00 -0.41297E+00 21488 0.261E+00 0.232E+00 DAV: 3 -0.160679050629E+04 -0.80520E-02 -0.17772E+00 23272 0.716E-01 0.159E+00 DAV: 4 -0.160673500184E+04 0.55504E-01 -0.51438E-02 22112 0.390E-01 0.127E+00 DAV: 5 -0.160674418090E+04 -0.91791E-02 -0.28221E-01 22768 0.309E-01 0.150E+00 DAV: 6 -0.160677217081E+04 -0.27990E-01 -0.52366E-02 24104 0.442E-01 0.276E+00 DAV: 7 -0.160671545223E+04 0.56719E-01 -0.30720E-01 23944 0.391E-01 0.545E-01 DAV: 8 -0.160671733481E+04 -0.18826E-02 -0.90592E-03 20576 0.126E-01 0.195E-01 DAV: 9 -0.160671762045E+04 -0.28564E-03 -0.41892E-03 21776 0.773E-02 0.232E-01 DAV: 10 -0.160671707928E+04 0.54116E-03 -0.44986E-03 22248 0.461E-02 0.685E-02 DAV: 11 -0.160671711372E+04 -0.34435E-04 -0.37628E-04 21776 0.290E-02 0.784E-02 DAV: 12 -0.160671705346E+04 0.60252E-04 -0.65967E-05 19168 0.178E-02 0.104E-02 DAV: 13 -0.160671705246E+04 0.10058E-05 -0.24714E-05 14480 0.108E-02 68 F= -.16067171E+04 E0= -.16067061E+04 d E =-.333614E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.160666497134E+04 0.52082E-01 -0.62474E+01 18816 0.115E+01 0.164E+00 DAV: 2 -0.160679948006E+04 -0.13451E+00 -0.15398E+00 21504 0.158E+00 0.148E+00 DAV: 3 -0.160680841098E+04 -0.89309E-02 -0.78428E-01 22912 0.428E-01 0.132E+00 DAV: 4 -0.160678078236E+04 0.27629E-01 -0.30821E-02 22192 0.250E-01 0.861E-01 DAV: 5 -0.160677864229E+04 0.21401E-02 -0.10146E-02 23696 0.166E-01 0.797E-01 DAV: 6 -0.160677840807E+04 0.23422E-03 -0.95673E-02 21808 0.224E-01 0.787E-01 DAV: 7 -0.160677372335E+04 0.46847E-02 -0.62989E-02 22264 0.155E-01 0.221E-01 DAV: 8 -0.160677366914E+04 0.54203E-04 -0.27354E-03 20984 0.646E-02 0.832E-02 DAV: 9 -0.160677369446E+04 -0.25314E-04 -0.10077E-03 22176 0.416E-02 0.144E-01 DAV: 10 -0.160677343307E+04 0.26139E-03 -0.44201E-04 22208 0.263E-02 0.787E-02 DAV: 11 -0.160677344762E+04 -0.14558E-04 -0.46736E-05 18096 0.907E-03 0.780E-02 DAV: 12 -0.160677344867E+04 -0.10436E-05 -0.10534E-06 11128 0.133E-03 69 F= -.16067734E+04 E0= -.16067681E+04 d E =-.390010E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.160678669117E+04 -0.13244E-01 -0.18683E+02 18816 0.198E+01 0.277E+00 DAV: 2 -0.160721075337E+04 -0.42406E+00 -0.46570E+00 21432 0.272E+00 0.331E+00 DAV: 3 -0.160718685421E+04 0.23899E-01 -0.19721E+00 22856 0.778E-01 0.188E+00 DAV: 4 -0.160719225726E+04 -0.54031E-02 -0.77876E-02 22000 0.474E-01 0.315E+00 DAV: 5 -0.160712759007E+04 0.64667E-01 -0.45561E-02 22392 0.343E-01 0.130E+00 DAV: 6 -0.160712978560E+04 -0.21955E-02 -0.23748E-01 22800 0.475E-01 0.164E+00 DAV: 7 -0.160711059858E+04 0.19187E-01 -0.24715E-01 22336 0.301E-01 0.374E-01 DAV: 8 -0.160711051969E+04 0.78894E-04 -0.69514E-03 20736 0.106E-01 0.123E-01 DAV: 9 -0.160711057384E+04 -0.54155E-04 -0.15318E-03 21504 0.544E-02 0.126E-01 DAV: 10 -0.160711045453E+04 0.11931E-03 -0.16125E-03 23592 0.380E-02 0.863E-02 DAV: 11 -0.160711040642E+04 0.48116E-04 -0.27508E-04 21808 0.260E-02 0.398E-02 DAV: 12 -0.160711039243E+04 0.13985E-04 -0.90401E-05 17040 0.121E-02 0.103E-02 DAV: 13 -0.160711039310E+04 -0.66138E-06 -0.10698E-05 11448 0.565E-03 70 F= -.16071104E+04 E0= -.16070970E+04 d E =-.336944E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.160699263155E+04 0.11776E+00 -0.11539E+02 18816 0.156E+01 0.216E+00 DAV: 2 -0.160724315084E+04 -0.25052E+00 -0.28455E+00 21448 0.213E+00 0.226E+00 DAV: 3 -0.160723744531E+04 0.57055E-02 -0.12890E+00 22912 0.590E-01 0.136E+00 DAV: 4 -0.160721153454E+04 0.25911E-01 -0.35372E-02 22112 0.324E-01 0.147E+00 DAV: 5 -0.160720285416E+04 0.86804E-02 -0.22754E-02 22504 0.214E-01 0.109E+00 DAV: 6 -0.160720934627E+04 -0.64921E-02 -0.13714E-01 23392 0.368E-01 0.154E+00 DAV: 7 -0.160719070852E+04 0.18638E-01 -0.21679E-01 22864 0.259E-01 0.314E-01 DAV: 8 -0.160719096480E+04 -0.25628E-03 -0.42665E-03 20768 0.860E-02 0.112E-01 DAV: 9 -0.160719105350E+04 -0.88699E-04 -0.11911E-03 21504 0.476E-02 0.125E-01 DAV: 10 -0.160719089747E+04 0.15603E-03 -0.94389E-04 22736 0.297E-02 0.515E-02 DAV: 11 -0.160719089401E+04 0.34601E-05 -0.12733E-04 21336 0.192E-02 0.297E-02 DAV: 12 -0.160719088639E+04 0.76177E-05 -0.35660E-05 13592 0.843E-03 71 F= -.16071909E+04 E0= -.16071768E+04 d E =-.417438E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.160722207276E+04 -0.31179E-01 -0.16982E+02 18816 0.189E+01 0.271E+00 DAV: 2 -0.160761316242E+04 -0.39109E+00 -0.42089E+00 21584 0.262E+00 0.356E+00 DAV: 3 -0.160758447618E+04 0.28686E-01 -0.17075E+00 22920 0.780E-01 0.189E+00 DAV: 4 -0.160759244838E+04 -0.79722E-02 -0.71591E-02 21904 0.455E-01 0.291E+00 DAV: 5 -0.160753174528E+04 0.60703E-01 -0.39840E-02 22368 0.330E-01 0.126E+00 DAV: 6 -0.160752296794E+04 0.87773E-02 -0.16019E-01 22536 0.458E-01 0.120E+00 DAV: 7 -0.160751353243E+04 0.94355E-02 -0.14262E-01 22264 0.252E-01 0.284E-01 DAV: 8 -0.160751343933E+04 0.93105E-04 -0.40846E-03 20840 0.885E-02 0.119E-01 DAV: 9 -0.160751345273E+04 -0.13403E-04 -0.10574E-03 21504 0.482E-02 0.110E-01 DAV: 10 -0.160751335731E+04 0.95419E-04 -0.81436E-04 23512 0.358E-02 0.748E-02 DAV: 11 -0.160751332563E+04 0.31683E-04 -0.15154E-04 21824 0.219E-02 0.349E-02 DAV: 12 -0.160751331507E+04 0.10556E-04 -0.62363E-05 15040 0.973E-03 0.862E-03 DAV: 13 -0.160751331584E+04 -0.76917E-06 -0.72003E-06 11376 0.466E-03 72 F= -.16075133E+04 E0= -.16074995E+04 d E =-.322429E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.160740583690E+04 0.10748E+00 -0.10995E+02 18816 0.152E+01 0.217E+00 DAV: 2 -0.160765766126E+04 -0.25182E+00 -0.27461E+00 21592 0.210E+00 0.276E+00 DAV: 3 -0.160764184758E+04 0.15814E-01 -0.11172E+00 22896 0.621E-01 0.156E+00 DAV: 4 -0.160764125377E+04 0.59381E-03 -0.43010E-02 21928 0.361E-01 0.227E+00 DAV: 5 -0.160760396362E+04 0.37290E-01 -0.26335E-02 22400 0.256E-01 0.992E-01 DAV: 6 -0.160760305551E+04 0.90811E-03 -0.12838E-01 22408 0.368E-01 0.112E+00 DAV: 7 -0.160759387871E+04 0.91768E-02 -0.11714E-01 22360 0.215E-01 0.225E-01 DAV: 8 -0.160759405961E+04 -0.18090E-03 -0.28644E-03 20760 0.745E-02 0.972E-02 DAV: 9 -0.160759408572E+04 -0.26105E-04 -0.81866E-04 21504 0.427E-02 0.958E-02 DAV: 10 -0.160759400541E+04 0.80304E-04 -0.54866E-04 22864 0.286E-02 0.561E-02 DAV: 11 -0.160759399128E+04 0.14132E-04 -0.92657E-05 21512 0.179E-02 0.307E-02 DAV: 12 -0.160759398245E+04 0.88288E-05 -0.44230E-05 13864 0.818E-03 73 F= -.16075940E+04 E0= -.16075805E+04 d E =-.403096E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.160767421345E+04 -0.80222E-01 -0.13433E+02 18816 0.168E+01 0.241E+00 DAV: 2 -0.160800846416E+04 -0.33425E+00 -0.31530E+00 21584 0.236E+00 0.387E+00 DAV: 3 -0.160796518402E+04 0.43280E-01 -0.31677E-01 22448 0.726E-01 0.199E+00 DAV: 4 -0.160792586894E+04 0.39315E-01 -0.49878E-02 21304 0.377E-01 0.111E+00 DAV: 5 -0.160791701308E+04 0.88559E-02 -0.12784E-01 22464 0.262E-01 0.110E+00 DAV: 6 -0.160790674149E+04 0.10272E-01 -0.45980E-02 21728 0.308E-01 0.633E-01 DAV: 7 -0.160790487337E+04 0.18681E-02 -0.74621E-03 21336 0.145E-01 0.157E-01 DAV: 8 -0.160790496187E+04 -0.88495E-04 -0.25233E-03 21480 0.712E-02 0.928E-02 DAV: 9 -0.160790494431E+04 0.17563E-04 -0.43204E-04 21840 0.284E-02 0.692E-02 DAV: 10 -0.160790491806E+04 0.26250E-04 -0.14371E-04 21760 0.182E-02 0.340E-02 DAV: 11 -0.160790491116E+04 0.68963E-05 -0.10049E-04 14808 0.118E-02 0.162E-02 DAV: 12 -0.160790491025E+04 0.91127E-06 -0.28167E-05 12104 0.619E-03 74 F= -.16079049E+04 E0= -.16078927E+04 d E =-.310928E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.160758413607E+04 0.32078E+00 -0.27808E+02 18816 0.242E+01 0.349E+00 DAV: 2 -0.160825770166E+04 -0.67357E+00 -0.70793E+00 21592 0.340E+00 0.527E+00 DAV: 3 -0.160818734339E+04 0.70358E-01 -0.18352E+00 22544 0.104E+00 0.235E+00 DAV: 4 -0.160810326386E+04 0.84080E-01 -0.94800E-02 21224 0.518E-01 0.151E+00 DAV: 5 -0.160807213669E+04 0.31127E-01 -0.17737E-01 22088 0.517E-01 0.937E-01 DAV: 6 -0.160809631516E+04 -0.24178E-01 -0.28781E-01 22008 0.336E-01 0.218E+00 DAV: 7 -0.160806460874E+04 0.31706E-01 -0.38212E-02 22248 0.227E-01 0.282E-01 DAV: 8 -0.160806768136E+04 -0.30726E-02 -0.10459E-02 20600 0.114E-01 0.385E-01 DAV: 9 -0.160806648192E+04 0.11994E-02 -0.24349E-03 21856 0.559E-02 0.804E-02 DAV: 10 -0.160806657063E+04 -0.88711E-04 -0.25669E-04 21368 0.327E-02 0.594E-02 DAV: 11 -0.160806654720E+04 0.23436E-04 -0.11012E-04 21928 0.161E-02 0.217E-02 DAV: 12 -0.160806654418E+04 0.30128E-05 -0.17119E-05 13248 0.999E-03 75 F= -.16080665E+04 E0= -.16080568E+04 d E =-.472562E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.160807343349E+04 -0.68863E-02 -0.20945E+02 18816 0.210E+01 0.299E+00 DAV: 2 -0.160862831996E+04 -0.55489E+00 -0.55758E+00 21512 0.296E+00 0.528E+00 DAV: 3 -0.160853347400E+04 0.94846E-01 -0.18701E+00 22360 0.891E-01 0.217E+00 DAV: 4 -0.160847467418E+04 0.58800E-01 -0.85628E-02 21032 0.431E-01 0.145E+00 DAV: 5 -0.160847774854E+04 -0.30744E-02 -0.14062E-01 22416 0.478E-01 0.191E+00 DAV: 6 -0.160846471379E+04 0.13035E-01 -0.52758E-01 22384 0.330E-01 0.152E+00 DAV: 7 -0.160845000279E+04 0.14711E-01 -0.16152E-02 22928 0.196E-01 0.253E-01 DAV: 8 -0.160845108671E+04 -0.10839E-02 -0.55967E-03 20408 0.116E-01 0.140E-01 DAV: 9 -0.160845109107E+04 -0.43605E-05 -0.80146E-04 21984 0.395E-02 0.716E-02 DAV: 10 -0.160845108807E+04 0.29995E-05 -0.17307E-04 21520 0.248E-02 0.514E-02 DAV: 11 -0.160845106733E+04 0.20743E-04 -0.56428E-05 19088 0.141E-02 0.108E-02 DAV: 12 -0.160845106859E+04 -0.12660E-05 -0.13553E-05 12032 0.710E-03 76 F= -.16084511E+04 E0= -.16084436E+04 d E =-.384524E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.160749205967E+04 0.95901E+00 -0.63298E+02 18816 0.366E+01 0.527E+00 DAV: 2 -0.160907480280E+04 -0.15827E+01 -0.17674E+01 21416 0.522E+00 0.739E+00 DAV: 3 -0.160890980412E+04 0.16500E+00 -0.73558E+00 22720 0.157E+00 0.304E+00 DAV: 4 -0.160879418675E+04 0.11562E+00 -0.49576E-01 21496 0.775E-01 0.217E+00 DAV: 5 -0.160873351280E+04 0.60674E-01 -0.42971E-01 23152 0.662E-01 0.149E+00 DAV: 6 -0.160869670554E+04 0.36807E-01 -0.11769E-01 21680 0.572E-01 0.109E+00 DAV: 7 -0.160869602417E+04 0.68138E-03 -0.13142E-01 23024 0.339E-01 0.693E-01 DAV: 8 -0.160869079817E+04 0.52260E-02 -0.41090E-02 22416 0.174E-01 0.283E-01 DAV: 9 -0.160869123397E+04 -0.43580E-03 -0.15190E-02 21752 0.852E-02 0.281E-01 DAV: 10 -0.160869017378E+04 0.10602E-02 -0.56188E-03 23232 0.705E-02 0.648E-02 DAV: 11 -0.160869018009E+04 -0.63091E-05 -0.59120E-04 21688 0.362E-02 0.430E-02 DAV: 12 -0.160869016820E+04 0.11891E-04 -0.15655E-04 21640 0.174E-02 0.199E-02 DAV: 13 -0.160869016464E+04 0.35591E-05 -0.29942E-05 13536 0.803E-03 77 F= -.16086902E+04 E0= -.16086885E+04 d E =-.623620E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.160872961778E+04 -0.39450E-01 -0.17379E+02 18816 0.191E+01 0.270E+00 DAV: 2 -0.160917020617E+04 -0.44059E+00 -0.41200E+00 21496 0.270E+00 0.439E+00 DAV: 3 -0.160911045292E+04 0.59753E-01 -0.77574E-01 22312 0.803E-01 0.184E+00 DAV: 4 -0.160906435348E+04 0.46099E-01 -0.50265E-02 20848 0.382E-01 0.125E+00 DAV: 5 -0.160905539937E+04 0.89541E-02 -0.18040E-01 21808 0.447E-01 0.116E+00 DAV: 6 -0.160905235539E+04 0.30440E-02 -0.11176E-01 21816 0.247E-01 0.105E+00 DAV: 7 -0.160904376736E+04 0.85880E-02 -0.23259E-02 23416 0.159E-01 0.223E-01 DAV: 8 -0.160904456554E+04 -0.79818E-03 -0.57148E-03 20664 0.973E-02 0.150E-01 DAV: 9 -0.160904445134E+04 0.11420E-03 -0.63485E-04 22000 0.371E-02 0.698E-02 DAV: 10 -0.160904444367E+04 0.76702E-05 -0.17086E-04 21280 0.240E-02 0.303E-02 DAV: 11 -0.160904443804E+04 0.56381E-05 -0.39194E-05 16808 0.117E-02 78 F= -.16090444E+04 E0= -.16090419E+04 d E =-.354273E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.160762256358E+04 0.14219E+01 -0.88719E+02 18816 0.432E+01 0.631E+00 DAV: 2 -0.160971580298E+04 -0.20932E+01 -0.23188E+01 21376 0.623E+00 0.675E+00 DAV: 3 -0.160964863397E+04 0.67169E-01 -0.55002E+00 23176 0.186E+00 0.328E+00 DAV: 4 -0.160947896113E+04 0.16967E+00 -0.28337E-01 21240 0.865E-01 0.221E+00 DAV: 5 -0.160937423332E+04 0.10473E+00 -0.42486E-01 22384 0.989E-01 0.980E-01 DAV: 6 -0.160939098563E+04 -0.16752E-01 -0.39415E-01 22048 0.506E-01 0.165E+00 DAV: 7 -0.160936860075E+04 0.22385E-01 -0.23002E-01 22376 0.303E-01 0.539E-01 DAV: 8 -0.160936795408E+04 0.64666E-03 -0.18526E-02 21120 0.174E-01 0.326E-01 DAV: 9 -0.160936643015E+04 0.15239E-02 -0.54822E-03 22792 0.121E-01 0.178E-01 DAV: 10 -0.160936576125E+04 0.66890E-03 -0.17195E-03 22992 0.899E-02 0.110E-01 DAV: 11 -0.160936547314E+04 0.28812E-03 -0.66203E-04 21528 0.468E-02 0.994E-02 DAV: 12 -0.160936551929E+04 -0.46151E-04 -0.97139E-05 20608 0.133E-02 0.996E-02 DAV: 13 -0.160936576821E+04 -0.24892E-03 -0.77692E-05 19192 0.277E-02 0.975E-02 DAV: 14 -0.160936694679E+04 -0.11786E-02 -0.32200E-03 29880 0.156E-01 0.179E-01 DAV: 15 -0.160936731889E+04 -0.37210E-03 -0.23234E-03 21560 0.776E-02 0.144E-01 DAV: 16 -0.160936784489E+04 -0.52599E-03 -0.36774E-04 25200 0.541E-02 0.168E-01 DAV: 17 -0.160936506404E+04 0.27808E-02 -0.74228E-03 28296 0.287E-01 0.134E-01 DAV: 18 -0.160936673815E+04 -0.16741E-02 -0.16105E-02 26624 0.330E-01 0.512E-01 DAV: 19 -0.160936444017E+04 0.22980E-02 -0.90606E-03 23240 0.227E-01 0.128E-01 DAV: 20 -0.160936392307E+04 0.51710E-03 -0.67967E-04 20848 0.758E-02 0.622E-02 DAV: 21 -0.160936401085E+04 -0.87775E-04 -0.21129E-04 22032 0.260E-02 0.669E-02 DAV: 22 -0.160936409636E+04 -0.85517E-04 -0.10610E-04 20384 0.189E-02 0.708E-02 DAV: 23 -0.160936419061E+04 -0.94249E-04 -0.26617E-05 15920 0.125E-02 0.786E-02 DAV: 24 -0.160936398870E+04 0.20191E-03 -0.55318E-05 19576 0.252E-02 0.571E-02 DAV: 25 -0.160936392895E+04 0.59751E-04 -0.62004E-05 19872 0.143E-02 0.414E-02 DAV: 26 -0.160936388981E+04 0.39146E-04 -0.20280E-05 15032 0.123E-02 0.265E-02 DAV: 27 -0.160936388959E+04 0.21458E-06 -0.12589E-05 12464 0.476E-03 79 F= -.16093639E+04 E0= -.16093731E+04 d E =-.673725E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.160948474353E+04 -0.12085E+00 -0.18714E+02 18816 0.198E+01 0.294E+00 DAV: 2 -0.160991899730E+04 -0.43425E+00 -0.44994E+00 21512 0.283E+00 0.313E+00 DAV: 3 -0.160990766548E+04 0.11332E-01 -0.25173E-01 22760 0.854E-01 0.164E+00 DAV: 4 -0.160985713931E+04 0.50526E-01 -0.52410E-02 21312 0.410E-01 0.123E+00 DAV: 5 -0.160985918585E+04 -0.20465E-02 -0.74339E-02 23632 0.597E-01 0.197E+00 DAV: 6 -0.160983961576E+04 0.19570E-01 -0.14010E-01 21768 0.277E-01 0.104E+00 DAV: 7 -0.160983204139E+04 0.75744E-02 -0.28341E-02 23464 0.199E-01 0.219E-01 DAV: 8 -0.160983301748E+04 -0.97609E-03 -0.58472E-03 20416 0.121E-01 0.161E-01 DAV: 9 -0.160983294421E+04 0.73272E-04 -0.11211E-03 22216 0.490E-02 0.789E-02 DAV: 10 -0.160983294385E+04 0.35498E-06 -0.21028E-04 21488 0.356E-02 0.685E-02 DAV: 11 -0.160983290003E+04 0.43826E-04 -0.13421E-04 21624 0.196E-02 0.152E-02 DAV: 12 -0.160983290095E+04 -0.92317E-06 -0.19913E-05 13696 0.926E-03 80 F= -.16098329E+04 E0= -.16098457E+04 d E =-.469011E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.160975867421E+04 0.74226E-01 -0.98061E+01 18816 0.144E+01 0.213E+00 DAV: 2 -0.160997889227E+04 -0.22022E+00 -0.23475E+00 21528 0.204E+00 0.184E+00 DAV: 3 -0.160998234447E+04 -0.34522E-02 -0.10392E-01 22848 0.597E-01 0.131E+00 DAV: 4 -0.160994891688E+04 0.33428E-01 -0.24636E-02 21968 0.314E-01 0.795E-01 DAV: 5 -0.160994998375E+04 -0.10669E-02 -0.43923E-02 22128 0.388E-01 0.102E+00 DAV: 6 -0.160994337903E+04 0.66047E-02 -0.36049E-02 21920 0.209E-01 0.484E-01 DAV: 7 -0.160994154148E+04 0.18375E-02 -0.51241E-03 22112 0.114E-01 0.196E-01 DAV: 8 -0.160994141041E+04 0.13107E-03 -0.20182E-03 21248 0.796E-02 0.927E-02 DAV: 9 -0.160994140127E+04 0.91363E-05 -0.63822E-04 21848 0.355E-02 0.515E-02 DAV: 10 -0.160994143743E+04 -0.36161E-04 -0.13000E-04 21440 0.250E-02 0.772E-02 DAV: 11 -0.160994136727E+04 0.70159E-04 -0.91901E-05 21928 0.184E-02 0.105E-02 DAV: 12 -0.160994137213E+04 -0.48584E-05 -0.18766E-05 13456 0.730E-03 81 F= -.16099414E+04 E0= -.16099566E+04 d E =-.577483E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.161028049125E+04 -0.33912E+00 -0.50551E+01 18816 0.103E+01 0.171E+00 DAV: 2 -0.161039101897E+04 -0.11053E+00 -0.12031E+00 21624 0.148E+00 0.161E+00 DAV: 3 -0.161038859018E+04 0.24288E-02 -0.14303E-01 22752 0.475E-01 0.107E+00 DAV: 4 -0.161036664415E+04 0.21946E-01 -0.20516E-02 21888 0.259E-01 0.632E-01 DAV: 5 -0.161036770009E+04 -0.10559E-02 -0.27123E-02 22296 0.327E-01 0.850E-01 DAV: 6 -0.161036188969E+04 0.58104E-02 -0.17952E-02 22416 0.175E-01 0.210E-01 DAV: 7 -0.161036186846E+04 0.21224E-04 -0.36434E-03 21504 0.684E-02 0.124E-01 DAV: 8 -0.161036161746E+04 0.25100E-03 -0.73515E-04 21672 0.560E-02 0.658E-02 DAV: 9 -0.161036146649E+04 0.15097E-03 -0.30708E-04 23608 0.349E-02 0.619E-02 DAV: 10 -0.161036147468E+04 -0.81892E-05 -0.76737E-05 20256 0.112E-02 82 F= -.16103615E+04 E0= -.16103759E+04 d E =-.420103E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.161042945536E+04 -0.67989E-01 -0.53375E+01 18816 0.106E+01 0.177E+00 DAV: 2 -0.161054057144E+04 -0.11112E+00 -0.12689E+00 21624 0.152E+00 0.147E+00 DAV: 3 -0.161053953352E+04 0.10379E-02 -0.16063E-01 22792 0.475E-01 0.102E+00 DAV: 4 -0.161051909417E+04 0.20439E-01 -0.56002E-02 21920 0.275E-01 0.657E-01 DAV: 5 -0.161051422747E+04 0.48667E-02 -0.20649E-02 22768 0.263E-01 0.421E-01 DAV: 6 -0.161051380155E+04 0.42592E-03 -0.12717E-02 22040 0.167E-01 0.394E-01 DAV: 7 -0.161051220345E+04 0.15981E-02 -0.33153E-03 23536 0.113E-01 0.135E-01 DAV: 8 -0.161051209248E+04 0.11097E-03 -0.13598E-03 21328 0.642E-02 0.543E-02 DAV: 9 -0.161051206675E+04 0.25733E-04 -0.20524E-04 21576 0.293E-02 0.516E-02 DAV: 10 -0.161051201945E+04 0.47300E-04 -0.11591E-04 21752 0.299E-02 0.295E-02 DAV: 11 -0.161051200727E+04 0.12183E-04 -0.62043E-05 21104 0.153E-02 0.130E-02 DAV: 12 -0.161051200423E+04 0.30367E-05 -0.13242E-05 12568 0.768E-03 83 F= -.16105120E+04 E0= -.16105235E+04 d E =-.570632E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.161076125239E+04 -0.24925E+00 -0.22093E+01 18816 0.681E+00 0.112E+00 DAV: 2 -0.161080142957E+04 -0.40177E-01 -0.49681E-01 21688 0.945E-01 0.747E-01 DAV: 3 -0.161080268505E+04 -0.12555E-02 -0.31757E-02 22480 0.282E-01 0.653E-01 DAV: 4 -0.161079396600E+04 0.87190E-02 -0.11254E-02 22392 0.166E-01 0.310E-01 DAV: 5 -0.161079391577E+04 0.50233E-04 -0.71022E-03 21744 0.155E-01 0.302E-01 DAV: 6 -0.161079296982E+04 0.94595E-03 -0.25397E-03 21752 0.823E-02 0.830E-02 DAV: 7 -0.161079299452E+04 -0.24701E-04 -0.60370E-04 21272 0.381E-02 0.517E-02 DAV: 8 -0.161079298327E+04 0.11245E-04 -0.13167E-04 21520 0.198E-02 0.245E-02 DAV: 9 -0.161079297826E+04 0.50098E-05 -0.15104E-05 12336 0.900E-03 84 F= -.16107930E+04 E0= -.16108062E+04 d E =-.280974E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.161088837644E+04 -0.95393E-01 -0.14746E+02 18816 0.176E+01 0.290E+00 DAV: 2 -0.161115296130E+04 -0.26458E+00 -0.33192E+00 21680 0.243E+00 0.171E+00 DAV: 3 -0.161113665814E+04 0.16303E-01 -0.14170E-01 22216 0.671E-01 0.106E+00 DAV: 4 -0.161111716515E+04 0.19493E-01 -0.48206E-02 21584 0.352E-01 0.800E-01 DAV: 5 -0.161112593991E+04 -0.87748E-02 -0.45373E-02 27176 0.487E-01 0.178E+00 DAV: 6 -0.161110300784E+04 0.22932E-01 -0.37078E-02 24384 0.423E-01 0.478E-01 DAV: 7 -0.161110195197E+04 0.10559E-02 -0.11519E-02 21424 0.153E-01 0.451E-01 DAV: 8 -0.161109990413E+04 0.20478E-02 -0.42159E-03 29000 0.189E-01 0.519E-01 DAV: 9 -0.161109414221E+04 0.57619E-02 -0.34881E-03 23072 0.130E-01 0.294E-01 DAV: 10 -0.161109200185E+04 0.21404E-02 -0.18329E-03 22560 0.117E-01 0.117E-01 DAV: 11 -0.161109188464E+04 0.11720E-03 -0.10687E-03 21808 0.712E-02 0.880E-02 DAV: 12 -0.161109186289E+04 0.21755E-04 -0.23164E-04 21448 0.295E-02 0.796E-02 DAV: 13 -0.161109184829E+04 0.14598E-04 -0.56457E-05 20168 0.171E-02 0.776E-02 DAV: 14 -0.161109176034E+04 0.87954E-04 -0.69874E-05 19528 0.221E-02 0.162E-02 DAV: 15 -0.161109176649E+04 -0.61532E-05 -0.55328E-05 19928 0.124E-02 85 F= -.16110918E+04 E0= -.16111037E+04 d E =-.579762E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.161132661127E+04 -0.23485E+00 -0.23365E+01 18816 0.703E+00 0.126E+00 DAV: 2 -0.161136420657E+04 -0.37595E-01 -0.54864E-01 21648 0.993E-01 0.581E-01 DAV: 3 -0.161136088839E+04 0.33182E-02 -0.18809E-02 22080 0.222E-01 0.419E-01 DAV: 4 -0.161136001962E+04 0.86876E-03 -0.58072E-03 22152 0.144E-01 0.426E-01 DAV: 5 -0.161135837280E+04 0.16468E-02 -0.43800E-03 22248 0.129E-01 0.246E-01 DAV: 6 -0.161135780060E+04 0.57220E-03 -0.17547E-03 22392 0.762E-02 0.115E-01 DAV: 7 -0.161135763714E+04 0.16346E-03 -0.48237E-04 21528 0.444E-02 0.469E-02 DAV: 8 -0.161135763253E+04 0.46158E-05 -0.26920E-04 21512 0.274E-02 0.306E-02 DAV: 9 -0.161135762205E+04 0.10478E-04 -0.25236E-05 14296 0.118E-02 0.173E-02 DAV: 10 -0.161135761559E+04 0.64578E-05 -0.29858E-05 16248 0.108E-02 86 F= -.16113576E+04 E0= -.16113693E+04 d E =-.265849E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.161142406410E+04 -0.66442E-01 -0.17448E+02 18816 0.192E+01 0.339E+00 DAV: 2 -0.161171118048E+04 -0.28712E+00 -0.40818E+00 21640 0.272E+00 0.161E+00 DAV: 3 -0.161168466681E+04 0.26514E-01 -0.14325E-01 22032 0.611E-01 0.106E+00 DAV: 4 -0.161167537723E+04 0.92896E-02 -0.44006E-02 21944 0.387E-01 0.112E+00 DAV: 5 -0.161166807439E+04 0.73028E-02 -0.30314E-02 22192 0.343E-01 0.598E-01 DAV: 6 -0.161166322824E+04 0.48462E-02 -0.10557E-02 21768 0.196E-01 0.343E-01 DAV: 7 -0.161166138909E+04 0.18391E-02 -0.37838E-03 21584 0.123E-01 0.156E-01 DAV: 8 -0.161166123995E+04 0.14914E-03 -0.16582E-03 21632 0.743E-02 0.841E-02 DAV: 9 -0.161166117590E+04 0.64048E-04 -0.25599E-04 21656 0.352E-02 0.463E-02 DAV: 10 -0.161166113412E+04 0.41782E-04 -0.13431E-04 21664 0.249E-02 0.208E-02 DAV: 11 -0.161166111884E+04 0.15284E-04 -0.28189E-05 15496 0.163E-02 0.108E-02 DAV: 12 -0.161166111261E+04 0.62244E-05 -0.24175E-05 14504 0.130E-02 87 F= -.16116611E+04 E0= -.16116733E+04 d E =-.569346E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.161191320101E+04 -0.25208E+00 -0.48666E+01 18816 0.101E+01 0.168E+00 DAV: 2 -0.161199571548E+04 -0.82514E-01 -0.11249E+00 21512 0.141E+00 0.795E-01 DAV: 3 -0.161198887134E+04 0.68441E-02 -0.32646E-02 21936 0.288E-01 0.527E-01 DAV: 4 -0.161198915145E+04 -0.28011E-03 -0.10826E-02 22744 0.200E-01 0.570E-01 DAV: 5 -0.161198472168E+04 0.44298E-02 -0.71773E-03 22000 0.168E-01 0.169E-01 DAV: 6 -0.161198481917E+04 -0.97492E-04 -0.22391E-03 21264 0.776E-02 0.120E-01 DAV: 7 -0.161198472331E+04 0.95856E-04 -0.59826E-04 22160 0.412E-02 0.793E-02 DAV: 8 -0.161198468836E+04 0.34949E-04 -0.20827E-04 21704 0.250E-02 0.376E-02 DAV: 9 -0.161198468097E+04 0.73942E-05 -0.38878E-05 18080 0.126E-02 88 F= -.16119847E+04 E0= -.16119966E+04 d E =-.323568E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.161190995605E+04 0.74732E-01 -0.24718E+02 18816 0.228E+01 0.374E+00 DAV: 2 -0.161234262466E+04 -0.43267E+00 -0.57331E+00 21584 0.319E+00 0.181E+00 DAV: 3 -0.161230506185E+04 0.37563E-01 -0.16912E-01 21880 0.645E-01 0.112E+00 DAV: 4 -0.161229934847E+04 0.57134E-02 -0.60614E-02 21928 0.455E-01 0.911E-01 DAV: 5 -0.161228716432E+04 0.12184E-01 -0.24861E-02 21880 0.311E-01 0.381E-01 DAV: 6 -0.161228643950E+04 0.72482E-03 -0.76458E-03 21120 0.159E-01 0.229E-01 DAV: 7 -0.161228637083E+04 0.68666E-04 -0.32930E-03 22040 0.967E-02 0.191E-01 DAV: 8 -0.161228610032E+04 0.27051E-03 -0.84736E-04 21624 0.476E-02 0.805E-02 DAV: 9 -0.161228606386E+04 0.36462E-04 -0.17355E-04 21496 0.277E-02 0.389E-02 DAV: 10 -0.161228605584E+04 0.80182E-05 -0.13205E-04 21768 0.194E-02 0.175E-02 DAV: 11 -0.161228605197E+04 0.38690E-05 -0.15945E-05 11944 0.852E-03 89 F= -.16122861E+04 E0= -.16122990E+04 d E =-.624939E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.161250547478E+04 -0.21942E+00 -0.75303E+01 18816 0.125E+01 0.187E+00 DAV: 2 -0.161264264065E+04 -0.13717E+00 -0.16947E+00 21576 0.173E+00 0.964E-01 DAV: 3 -0.161263302053E+04 0.96201E-02 -0.47152E-02 21960 0.337E-01 0.715E-01 DAV: 4 -0.161263436083E+04 -0.13403E-02 -0.15523E-02 23320 0.243E-01 0.695E-01 DAV: 5 -0.161262637856E+04 0.79823E-02 -0.14555E-02 21848 0.224E-01 0.236E-01 DAV: 6 -0.161262644222E+04 -0.63661E-04 -0.45756E-03 21720 0.114E-01 0.185E-01