N E dE d eps ncg rms rms(c) DAV: 1 0.362149683480E+04 0.36215E+04 -0.24996E+05 11712 0.119E+03 DAV: 2 -0.446643726367E+03 -0.40681E+04 -0.39877E+04 13824 0.325E+02 DAV: 3 -0.744010807406E+03 -0.29737E+03 -0.29620E+03 14848 0.959E+01 DAV: 4 -0.750160079039E+03 -0.61493E+01 -0.61368E+01 16192 0.132E+01 DAV: 5 -0.750480459525E+03 -0.32038E+00 -0.32030E+00 17664 0.195E+00 0.133E+02 DAV: 6 -0.674247216394E+03 0.76233E+02 -0.30914E+02 13568 0.281E+01 0.760E+01 DAV: 7 -0.674362716281E+03 -0.11550E+00 -0.21876E+01 14176 0.757E+00 0.124E+01 DAV: 8 -0.674198119389E+03 0.16460E+00 -0.13792E+00 14720 0.225E+00 0.392E+00 DAV: 9 -0.674201287188E+03 -0.31678E-02 -0.24645E-01 13888 0.108E+00 0.109E+00 DAV: 10 -0.674208597642E+03 -0.73105E-02 -0.57800E-02 15840 0.567E-01 0.535E-01 DAV: 11 -0.674211045645E+03 -0.24480E-02 -0.12056E-02 13312 0.252E-01 0.256E-01 DAV: 12 -0.674211252214E+03 -0.20657E-03 -0.41990E-03 13344 0.155E-01 0.839E-02 DAV: 13 -0.674211294060E+03 -0.41846E-04 -0.14043E-03 14048 0.910E-02 0.541E-02 DAV: 14 -0.674211297466E+03 -0.34064E-05 -0.47206E-04 13536 0.532E-02 0.283E-02 DAV: 15 -0.674211296668E+03 0.79842E-06 -0.91932E-05 15328 0.221E-02 1 F= -.68635481E+03 E0= -.68635481E+03 d E =-.686355E+03 N E dE d eps ncg rms rms(c) DAV: 1 -0.674247468282E+03 -0.36171E-01 -0.49309E+02 11264 0.438E+01 0.168E+01 DAV: 2 -0.672915334617E+03 0.13321E+01 -0.21611E+01 14048 0.852E+00 0.850E+00 DAV: 3 -0.672491758929E+03 0.42358E+00 -0.10403E+00 14144 0.215E+00 0.508E+00 DAV: 4 -0.672357859267E+03 0.13390E+00 -0.58485E-01 15040 0.157E+00 0.172E+00 DAV: 5 -0.672358294574E+03 -0.43531E-03 -0.85768E-02 13824 0.588E-01 0.146E+00 DAV: 6 -0.672357121744E+03 0.11728E-02 -0.92149E-03 14816 0.174E-01 0.917E-01 DAV: 7 -0.672356445112E+03 0.67663E-03 -0.34461E-03 14880 0.149E-01 0.140E-01 DAV: 8 -0.672356381942E+03 0.63170E-04 -0.17059E-03 14080 0.842E-02 0.654E-02 DAV: 9 -0.672356387406E+03 -0.54641E-05 -0.17076E-04 13792 0.256E-02 0.561E-02 DAV: 10 -0.672356384380E+03 0.30256E-05 -0.35346E-05 13056 0.146E-02 2 F= -.68490227E+03 E0= -.68490227E+03 d E =0.145255E+01 N E dE d eps ncg rms rms(c) DAV: 1 -0.675541224116E+03 -0.31848E+01 -0.18617E+02 11264 0.268E+01 0.104E+01 DAV: 2 -0.675020774225E+03 0.52045E+00 -0.67887E+00 14336 0.495E+00 0.420E+00 DAV: 3 -0.674832866495E+03 0.18791E+00 -0.64081E-01 14080 0.167E+00 0.147E+00 DAV: 4 -0.674817682310E+03 0.15184E-01 -0.12562E-01 14720 0.650E-01 0.811E-01 DAV: 5 -0.674816128893E+03 0.15534E-02 -0.98643E-03 14560 0.227E-01 0.442E-01 DAV: 6 -0.674815531599E+03 0.59729E-03 -0.35025E-03 14976 0.139E-01 0.145E-01 DAV: 7 -0.674815445876E+03 0.85723E-04 -0.92355E-04 15232 0.658E-02 0.653E-02 DAV: 8 -0.674815404789E+03 0.41087E-04 -0.12812E-04 13472 0.244E-02 0.366E-02 DAV: 9 -0.674815379942E+03 0.24847E-04 -0.40982E-05 14080 0.178E-02 0.147E-02 DAV: 10 -0.674815373069E+03 0.68726E-05 -0.30057E-05 12256 0.140E-02 3 F= -.68711591E+03 E0= -.68711591E+03 d E =-.761094E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.677302019828E+03 -0.24866E+01 -0.27253E+02 11264 0.324E+01 0.135E+01 DAV: 2 -0.675391151761E+03 0.19109E+01 -0.13526E+01 13888 0.654E+00 0.593E+00 DAV: 3 -0.675126859378E+03 0.26429E+00 -0.62081E-01 14016 0.158E+00 0.322E+00 DAV: 4 -0.675077200314E+03 0.49659E-01 -0.34151E-01 14656 0.110E+00 0.123E+00 DAV: 5 -0.675079014683E+03 -0.18144E-02 -0.29930E-02 14464 0.331E-01 0.121E+00 DAV: 6 -0.675079448003E+03 -0.43332E-03 -0.39580E-03 16352 0.102E-01 0.770E-01 DAV: 7 -0.675079496117E+03 -0.48114E-04 -0.35067E-03 15264 0.133E-01 0.166E-01 DAV: 8 -0.675079569126E+03 -0.73009E-04 -0.12997E-03 13888 0.643E-02 0.127E-01 DAV: 9 -0.675079572726E+03 -0.36004E-05 -0.58049E-05 13792 0.149E-02 4 F= -.68773666E+03 E0= -.68773666E+03 d E =-.620754E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.675372614781E+03 -0.29305E+00 -0.16327E+01 11264 0.791E+00 0.318E+00 DAV: 2 -0.675256377639E+03 0.11624E+00 -0.70228E-01 14144 0.152E+00 0.133E+00 DAV: 3 -0.675239294673E+03 0.17083E-01 -0.46167E-02 13824 0.415E-01 0.543E-01 DAV: 4 -0.675237353292E+03 0.19414E-02 -0.13328E-02 14816 0.210E-01 0.245E-01 DAV: 5 -0.675237344807E+03 0.84851E-05 -0.10061E-03 16352 0.619E-02 0.195E-01 DAV: 6 -0.675237338405E+03 0.64020E-05 -0.19913E-04 17088 0.252E-02 0.708E-02 DAV: 7 -0.675237304345E+03 0.34059E-04 -0.58844E-05 15264 0.187E-02 0.177E-02 DAV: 8 -0.675237301152E+03 0.31932E-05 -0.25069E-05 11648 0.920E-03 5 F= -.68780819E+03 E0= -.68780819E+03 d E =-.692281E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.676015532455E+03 -0.77823E+00 -0.16353E+02 11360 0.248E+01 0.121E+01 DAV: 2 -0.675078566357E+03 0.93697E+00 -0.68286E+00 14304 0.482E+00 0.383E+00 DAV: 3 -0.674941943054E+03 0.13662E+00 -0.57302E-01 13312 0.141E+00 0.189E+00 DAV: 4 -0.674923000056E+03 0.18943E-01 -0.10067E-01 14496 0.631E-01 0.824E-01 DAV: 5 -0.674922968192E+03 0.31864E-04 -0.11901E-02 15872 0.256E-01 0.305E-01 DAV: 6 -0.674922962319E+03 0.58737E-05 -0.27645E-03 14400 0.114E-01 0.128E-01 DAV: 7 -0.674922928298E+03 0.34021E-04 -0.48406E-04 14496 0.534E-02 0.544E-02 DAV: 8 -0.674922905475E+03 0.22822E-04 -0.12066E-04 16128 0.397E-02 0.242E-02 DAV: 9 -0.674922896205E+03 0.92703E-05 -0.65049E-05 15168 0.296E-02 6 F= -.68773370E+03 E0= -.68773370E+03 d E =0.744883E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.675665956073E+03 -0.74305E+00 -0.46464E+01 11744 0.132E+01 0.582E+00 DAV: 2 -0.675411467683E+03 0.25449E+00 -0.17186E+00 14336 0.245E+00 0.237E+00 DAV: 3 -0.675369781478E+03 0.41686E-01 -0.18668E-01 13312 0.783E-01 0.133E+00 DAV: 4 -0.675363803438E+03 0.59780E-02 -0.34154E-02 14656 0.372E-01 0.547E-01 DAV: 5 -0.675363419459E+03 0.38398E-03 -0.53717E-03 15200 0.159E-01 0.191E-01 DAV: 6 -0.675363228894E+03 0.19056E-03 -0.17032E-03 13472 0.848E-02 0.834E-02 DAV: 7 -0.675363168963E+03 0.59931E-04 -0.31329E-04 14208 0.356E-02 0.256E-02 DAV: 8 -0.675363152850E+03 0.16113E-04 -0.39945E-05 12800 0.184E-02 0.163E-02 DAV: 9 -0.675363140828E+03 0.12022E-04 -0.12587E-05 10848 0.141E-02 0.626E-03 DAV: 10 -0.675363134511E+03 0.63174E-05 -0.86106E-06 9728 0.103E-02 7 F= -.68804643E+03 E0= -.68804643E+03 d E =-.238240E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.675470210660E+03 -0.10707E+00 -0.36855E+01 11264 0.118E+01 0.492E+00 DAV: 2 -0.675494593165E+03 -0.24383E-01 -0.10646E+00 14336 0.194E+00 0.201E+00 DAV: 3 -0.675478261264E+03 0.16332E-01 -0.66473E-02 13824 0.546E-01 0.962E-01 DAV: 4 -0.675476647748E+03 0.16135E-02 -0.14587E-02 14848 0.249E-01 0.339E-01 DAV: 5 -0.675476545540E+03 0.10221E-03 -0.23001E-03 16544 0.121E-01 0.110E-01 DAV: 6 -0.675476546231E+03 -0.69110E-06 -0.38533E-04 14592 0.404E-02 0.595E-02 DAV: 7 -0.675476537633E+03 0.85986E-05 -0.78707E-05 13824 0.197E-02 8 F= -.68822601E+03 E0= -.68822601E+03 d E =-.179577E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.675471375279E+03 0.51710E-02 -0.33879E-01 12288 0.113E+00 0.447E-01 DAV: 2 -0.675471608224E+03 -0.23295E-03 -0.10017E-02 14336 0.188E-01 0.204E-01 DAV: 3 -0.675471434176E+03 0.17405E-03 -0.66192E-04 13824 0.551E-02 0.107E-01 DAV: 4 -0.675471414466E+03 0.19709E-04 -0.15017E-04 14848 0.263E-02 0.365E-02 DAV: 5 -0.675471417252E+03 -0.27857E-05 -0.26716E-05 11552 0.142E-02 9 F= -.68822713E+03 E0= -.68822713E+03 d E =-.180701E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.675571003712E+03 -0.99589E-01 -0.74286E+00 11264 0.522E+00 0.906E-01 DAV: 2 -0.675583815677E+03 -0.12812E-01 -0.17403E-01 13824 0.758E-01 0.398E-01 DAV: 3 -0.675582232987E+03 0.15827E-02 -0.38677E-03 14336 0.144E-01 0.237E-01 DAV: 4 -0.675581873224E+03 0.35976E-03 -0.32745E-03 13824 0.126E-01 0.856E-02 DAV: 5 -0.675581854008E+03 0.19216E-04 -0.52989E-04 13888 0.549E-02 0.429E-02 DAV: 6 -0.675581858323E+03 -0.43154E-05 -0.12408E-04 13824 0.214E-02 0.221E-02 DAV: 7 -0.675581855486E+03 0.28376E-05 -0.80944E-06 9600 0.963E-03 10 F= -.68834415E+03 E0= -.68834415E+03 d E =-.117025E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.675706098029E+03 -0.12424E+00 -0.66934E+01 11264 0.157E+01 0.277E+00 DAV: 2 -0.675822139224E+03 -0.11604E+00 -0.15936E+00 13824 0.229E+00 0.120E+00 DAV: 3 -0.675807874539E+03 0.14265E-01 -0.34694E-02 14336 0.434E-01 0.734E-01 DAV: 4 -0.675804418169E+03 0.34564E-02 -0.30960E-02 13824 0.388E-01 0.268E-01 DAV: 5 -0.675804179040E+03 0.23913E-03 -0.51826E-03 13856 0.171E-01 0.137E-01 DAV: 6 -0.675804204722E+03 -0.25682E-04 -0.12049E-03 13856 0.663E-02 0.688E-02 DAV: 7 -0.675804165660E+03 0.39062E-04 -0.96078E-05 14784 0.315E-02 0.331E-02 DAV: 8 -0.675804157429E+03 0.82307E-05 -0.48646E-05 13824 0.186E-02 11 F= -.68858385E+03 E0= -.68858385E+03 d E =-.356716E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.675333766272E+03 0.47040E+00 -0.26799E+02 11264 0.313E+01 0.574E+00 DAV: 2 -0.675810638785E+03 -0.47687E+00 -0.66334E+00 13824 0.465E+00 0.244E+00 DAV: 3 -0.675753329559E+03 0.57309E-01 -0.13994E-01 14336 0.878E-01 0.156E+00 DAV: 4 -0.675738351375E+03 0.14978E-01 -0.12623E-01 13824 0.784E-01 0.583E-01 DAV: 5 -0.675737339424E+03 0.10120E-02 -0.22381E-02 13856 0.360E-01 0.289E-01 DAV: 6 -0.675737491115E+03 -0.15169E-03 -0.48905E-03 13856 0.134E-01 0.141E-01 DAV: 7 -0.675737323025E+03 0.16809E-03 -0.43546E-04 16608 0.676E-02 0.654E-02 DAV: 8 -0.675737290746E+03 0.32279E-04 -0.19704E-04 13952 0.359E-02 0.262E-02 DAV: 9 -0.675737277609E+03 0.13137E-04 -0.76300E-05 13824 0.215E-02 0.125E-02 DAV: 10 -0.675737271732E+03 0.58770E-05 -0.94955E-06 9408 0.957E-03 12 F= -.68854349E+03 E0= -.68854349E+03 d E =-.316356E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.675735578034E+03 0.16996E-02 -0.84426E+01 11264 0.176E+01 0.297E+00 DAV: 2 -0.675884282214E+03 -0.14870E+00 -0.19850E+00 13824 0.256E+00 0.131E+00 DAV: 3 -0.675865081473E+03 0.19201E-01 -0.47404E-02 14400 0.503E-01 0.741E-01 DAV: 4 -0.675861059663E+03 0.40218E-02 -0.31997E-02 13824 0.392E-01 0.278E-01 DAV: 5 -0.675860851668E+03 0.20800E-03 -0.50939E-03 14080 0.175E-01 0.121E-01 DAV: 6 -0.675860872324E+03 -0.20656E-04 -0.10566E-03 13824 0.622E-02 0.702E-02 DAV: 7 -0.675860819279E+03 0.53045E-04 -0.87421E-05 14848 0.296E-02 0.374E-02 DAV: 8 -0.675860799776E+03 0.19503E-04 -0.53166E-05 13696 0.210E-02 0.136E-02 DAV: 9 -0.675860796884E+03 0.28924E-05 -0.21911E-05 11936 0.118E-02 13 F= -.68865316E+03 E0= -.68865316E+03 d E =-.426026E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.675975677639E+03 -0.11488E+00 -0.27779E+01 11264 0.101E+01 0.264E+00 DAV: 2 -0.676031935895E+03 -0.56258E-01 -0.76117E-01 14176 0.160E+00 0.168E+00 DAV: 3 -0.676024998073E+03 0.69378E-02 -0.21490E-02 14400 0.321E-01 0.102E+00 DAV: 4 -0.676023127943E+03 0.18701E-02 -0.13391E-02 13952 0.244E-01 0.278E-01 DAV: 5 -0.676022954701E+03 0.17324E-03 -0.25482E-03 14880 0.135E-01 0.901E-02 DAV: 6 -0.676022946204E+03 0.84972E-05 -0.57951E-04 13824 0.449E-02 0.524E-02 DAV: 7 -0.676022912951E+03 0.33253E-04 -0.10411E-04 14176 0.238E-02 0.193E-02 DAV: 8 -0.676022906859E+03 0.60916E-05 -0.20456E-05 11296 0.130E-02 14 F= -.68880384E+03 E0= -.68880384E+03 d E =-.150685E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.676035886739E+03 -0.12974E-01 -0.82173E+00 11264 0.547E+00 0.145E+00 DAV: 2 -0.676052401055E+03 -0.16514E-01 -0.22366E-01 14176 0.871E-01 0.889E-01 DAV: 3 -0.676050294324E+03 0.21067E-02 -0.65105E-03 14464 0.178E-01 0.501E-01 DAV: 4 -0.676049793274E+03 0.50105E-03 -0.34594E-03 13984 0.123E-01 0.144E-01 DAV: 5 -0.676049752626E+03 0.40647E-04 -0.64315E-04 14816 0.691E-02 0.460E-02 DAV: 6 -0.676049747952E+03 0.46744E-05 -0.15081E-04 13856 0.231E-02 0.272E-02 DAV: 7 -0.676049737404E+03 0.10548E-04 -0.32114E-05 13408 0.130E-02 0.972E-03 DAV: 8 -0.676049735454E+03 0.19496E-05 -0.56140E-06 9312 0.707E-03 15 F= -.68882428E+03 E0= -.68882428E+03 d E =-.171129E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.676091766845E+03 -0.42029E-01 -0.45077E+00 11328 0.405E+00 0.767E-01 DAV: 2 -0.676098203150E+03 -0.64363E-02 -0.10912E-01 14336 0.616E-01 0.367E-01 DAV: 3 -0.676097056770E+03 0.11464E-02 -0.36329E-03 14336 0.140E-01 0.200E-01 DAV: 4 -0.676096754505E+03 0.30227E-03 -0.12693E-03 13856 0.801E-02 0.681E-02 DAV: 5 -0.676096742368E+03 0.12137E-04 -0.23183E-04 14720 0.401E-02 0.308E-02 DAV: 6 -0.676096745688E+03 -0.33197E-05 -0.64748E-05 13856 0.168E-02 16 F= -.68888136E+03 E0= -.68888136E+03 d E =-.570759E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.676101861172E+03 -0.51188E-02 -0.17241E+01 11264 0.793E+00 0.150E+00 DAV: 2 -0.676126497110E+03 -0.24636E-01 -0.42026E-01 14304 0.121E+00 0.720E-01 DAV: 3 -0.676122109990E+03 0.43871E-02 -0.13778E-02 14336 0.275E-01 0.391E-01 DAV: 4 -0.676120891465E+03 0.12185E-02 -0.49357E-03 13888 0.160E-01 0.132E-01 DAV: 5 -0.676120830762E+03 0.60702E-04 -0.92518E-04 14752 0.801E-02 0.625E-02 DAV: 6 -0.676120832911E+03 -0.21486E-05 -0.25553E-04 13984 0.333E-02 0.420E-02 DAV: 7 -0.676120819808E+03 0.13103E-04 -0.39657E-05 14112 0.162E-02 0.193E-02 DAV: 8 -0.676120816506E+03 0.33017E-05 -0.10644E-05 9728 0.114E-02 17 F= -.68892502E+03 E0= -.68892502E+03 d E =-.100737E+00 N E dE d eps ncg rms rms(c) DAV: 1 -0.676152608920E+03 -0.31789E-01 -0.28652E+00 11456 0.324E+00 0.759E-01 DAV: 2 -0.676156545362E+03 -0.39364E-02 -0.68869E-02 14144 0.480E-01 0.281E-01 DAV: 3 -0.676155807867E+03 0.73749E-03 -0.22713E-03 14336 0.106E-01 0.152E-01 DAV: 4 -0.676155654521E+03 0.15335E-03 -0.73286E-04 13952 0.605E-02 0.553E-02 DAV: 5 -0.676155661447E+03 -0.69262E-05 -0.12587E-04 14848 0.260E-02 0.253E-02 DAV: 6 -0.676155664340E+03 -0.28928E-05 -0.26438E-05 12288 0.110E-02 18 F= -.68896943E+03 E0= -.68896943E+03 d E =-.444067E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.676157329732E+03 -0.16683E-02 -0.23186E+01 11264 0.922E+00 0.219E+00 DAV: 2 -0.676189211683E+03 -0.31882E-01 -0.56186E-01 14176 0.137E+00 0.800E-01 DAV: 3 -0.676183281470E+03 0.59302E-02 -0.18122E-02 14336 0.303E-01 0.429E-01 DAV: 4 -0.676182005963E+03 0.12755E-02 -0.60057E-03 13888 0.174E-01 0.152E-01 DAV: 5 -0.676182029817E+03 -0.23855E-04 -0.10459E-03 14848 0.747E-02 0.740E-02 DAV: 6 -0.676182033026E+03 -0.32083E-05 -0.21400E-04 13856 0.310E-02 0.455E-02 DAV: 7 -0.676182028021E+03 0.50045E-05 -0.26567E-05 13312 0.152E-02 19 F= -.68902298E+03 E0= -.68902298E+03 d E =-.979579E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.676203443971E+03 -0.21411E-01 -0.19695E+00 11392 0.264E+00 0.500E-01 DAV: 2 -0.676207356693E+03 -0.39127E-02 -0.46692E-02 13888 0.392E-01 0.222E-01 DAV: 3 -0.676207002951E+03 0.35374E-03 -0.10013E-03 14528 0.698E-02 0.126E-01 DAV: 4 -0.676206932632E+03 0.70319E-04 -0.62984E-04 13824 0.521E-02 0.356E-02 DAV: 5 -0.676206938017E+03 -0.53850E-05 -0.98177E-05 13888 0.230E-02 20 F= -.68904792E+03 E0= -.68904792E+03 d E =-.249435E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.676213304943E+03 -0.63723E-02 -0.79028E+00 11264 0.529E+00 0.101E+00 DAV: 2 -0.676229074660E+03 -0.15770E-01 -0.18739E-01 14048 0.785E-01 0.443E-01 DAV: 3 -0.676227690701E+03 0.13840E-02 -0.40045E-03 14592 0.140E-01 0.250E-01 DAV: 4 -0.676227427346E+03 0.26335E-03 -0.24931E-03 13824 0.103E-01 0.712E-02 DAV: 5 -0.676227450661E+03 -0.23315E-04 -0.38108E-04 13952 0.454E-02 0.377E-02 DAV: 6 -0.676227454950E+03 -0.42888E-05 -0.74520E-05 13888 0.174E-02 21 F= -.68906842E+03 E0= -.68906842E+03 d E =-.454439E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.676250822103E+03 -0.23371E-01 -0.23385E+00 11264 0.291E+00 0.514E-01 DAV: 2 -0.676255030566E+03 -0.42085E-02 -0.53219E-02 13824 0.428E-01 0.206E-01 DAV: 3 -0.676254704262E+03 0.32630E-03 -0.12059E-03 14336 0.738E-02 0.116E-01 DAV: 4 -0.676254626732E+03 0.77530E-04 -0.62227E-04 14080 0.537E-02 0.380E-02 DAV: 5 -0.676254627639E+03 -0.90738E-06 -0.93798E-05 13952 0.236E-02 22 F= -.68909643E+03 E0= -.68909643E+03 d E =-.280088E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.676266786180E+03 -0.12159E-01 -0.20989E+01 11264 0.872E+00 0.153E+00 DAV: 2 -0.676304354541E+03 -0.37568E-01 -0.47434E-01 13824 0.128E+00 0.627E-01 DAV: 3 -0.676301334072E+03 0.30205E-02 -0.10820E-02 14400 0.221E-01 0.355E-01 DAV: 4 -0.676300636249E+03 0.69782E-03 -0.57128E-03 13952 0.163E-01 0.116E-01 DAV: 5 -0.676300659557E+03 -0.23308E-04 -0.85670E-04 14080 0.719E-02 0.599E-02 DAV: 6 -0.676300667416E+03 -0.78591E-05 -0.22153E-04 13792 0.292E-02 0.395E-02 DAV: 7 -0.676300656890E+03 0.10526E-04 -0.19643E-05 10240 0.127E-02 0.225E-02 DAV: 8 -0.676300652519E+03 0.43714E-05 -0.15210E-05 9792 0.103E-02 23 F= -.68914471E+03 E0= -.68914471E+03 d E =-.762895E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.676298765473E+03 0.18914E-02 -0.33097E+00 11328 0.346E+00 0.608E-01 DAV: 2 -0.676304666331E+03 -0.59009E-02 -0.74956E-02 13824 0.509E-01 0.249E-01 DAV: 3 -0.676304178921E+03 0.48741E-03 -0.17143E-03 14368 0.884E-02 0.140E-01 DAV: 4 -0.676304062719E+03 0.11620E-03 -0.93648E-04 13984 0.657E-02 0.452E-02 DAV: 5 -0.676304063487E+03 -0.76816E-06 -0.13933E-04 14080 0.289E-02 0.241E-02 DAV: 6 -0.676304063427E+03 0.59605E-07 -0.36769E-05 13120 0.120E-02 24 F= -.68914890E+03 E0= -.68914890E+03 d E =-.804778E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.676322711147E+03 -0.18648E-01 -0.20157E+00 11392 0.268E+00 0.455E-01 DAV: 2 -0.676326503021E+03 -0.37919E-02 -0.45788E-02 13824 0.392E-01 0.188E-01 DAV: 3 -0.676326199797E+03 0.30322E-03 -0.87250E-04 14368 0.648E-02 0.108E-01 DAV: 4 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rms(c) DAV: 1 -0.676217981765E+03 0.14960E+00 -0.72237E+01 11264 0.161E+01 0.266E+00 DAV: 2 -0.676352337663E+03 -0.13436E+00 -0.16142E+00 13824 0.233E+00 0.113E+00 DAV: 3 -0.676341023509E+03 0.11314E-01 -0.30925E-02 14368 0.386E-01 0.655E-01 DAV: 4 -0.676338191859E+03 0.28317E-02 -0.22235E-02 13888 0.330E-01 0.188E-01 DAV: 5 -0.676338283167E+03 -0.91308E-04 -0.37302E-03 13824 0.145E-01 0.105E-01 DAV: 6 -0.676338282456E+03 0.71031E-06 -0.87165E-04 13920 0.581E-02 0.585E-02 DAV: 7 -0.676338239780E+03 0.42676E-04 -0.98318E-05 14304 0.282E-02 0.324E-02 DAV: 8 -0.676338221428E+03 0.18353E-04 -0.48318E-05 13952 0.210E-02 0.109E-02 DAV: 9 -0.676338218189E+03 0.32387E-05 -0.19688E-05 11136 0.125E-02 27 F= -.68919450E+03 E0= -.68919450E+03 d E =-.456006E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.676322192518E+03 0.16029E-01 -0.30701E+01 11264 0.105E+01 0.178E+00 DAV: 2 -0.676380301697E+03 -0.58109E-01 -0.71044E-01 13824 0.154E+00 0.735E-01 DAV: 3 -0.676375464019E+03 0.48377E-02 -0.13583E-02 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=-.257696E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.676390951337E+03 0.60194E-02 -0.14815E+01 11264 0.725E+00 0.132E+00 DAV: 2 -0.676417371490E+03 -0.26420E-01 -0.34399E-01 14272 0.110E+00 0.636E-01 DAV: 3 -0.676414533454E+03 0.28380E-02 -0.97905E-03 14720 0.218E-01 0.347E-01 DAV: 4 -0.676413987916E+03 0.54554E-03 -0.51126E-03 13824 0.153E-01 0.124E-01 DAV: 5 -0.676413960707E+03 0.27210E-04 -0.82932E-04 14784 0.818E-02 0.491E-02 DAV: 6 -0.676413963406E+03 -0.26993E-05 -0.21973E-04 13856 0.300E-02 0.385E-02 DAV: 7 -0.676413944786E+03 0.18620E-04 -0.24937E-05 12768 0.159E-02 0.180E-02 DAV: 8 -0.676413938022E+03 0.67637E-05 -0.14170E-05 10432 0.142E-02 30 F= -.68927669E+03 E0= -.68927669E+03 d E =-.499822E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.676427882839E+03 -0.13938E-01 -0.45271E+00 11328 0.410E+00 0.972E-01 DAV: 2 -0.676435342409E+03 -0.74596E-02 -0.10607E-01 14240 0.609E-01 0.339E-01 DAV: 3 -0.676434448223E+03 0.89419E-03 -0.35016E-03 14400 0.123E-01 0.186E-01 DAV: 4 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0.498E-01 DAV: 2 -0.676444311745E+03 -0.17559E-02 -0.32346E-02 14016 0.331E-01 0.231E-01 DAV: 3 -0.676443870974E+03 0.44077E-03 -0.11864E-03 14784 0.804E-02 0.113E-01 DAV: 4 -0.676443799947E+03 0.71027E-04 -0.44756E-04 13856 0.448E-02 0.379E-02 DAV: 5 -0.676443803266E+03 -0.33190E-05 -0.76680E-05 14368 0.216E-02 33 F= -.68933333E+03 E0= -.68933333E+03 d E =-.136795E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.676438197776E+03 0.56022E-02 -0.19126E+00 11328 0.257E+00 0.606E-01 DAV: 2 -0.676440784063E+03 -0.25863E-02 -0.47258E-02 14016 0.399E-01 0.279E-01 DAV: 3 -0.676440145893E+03 0.63817E-03 -0.17127E-03 14784 0.973E-02 0.137E-01 DAV: 4 -0.676440042176E+03 0.10372E-03 -0.64464E-04 13824 0.541E-02 0.458E-02 DAV: 5 -0.676440046021E+03 -0.38447E-05 -0.11443E-04 14592 0.264E-02 0.210E-02 DAV: 6 -0.676440048146E+03 -0.21249E-05 -0.16952E-05 10944 0.898E-03 34 F= -.68933911E+03 E0= -.68933911E+03 d E =-.194542E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.676444575184E+03 -0.45292E-02 -0.82429E-01 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rms(c) DAV: 1 -0.676656300162E+03 -0.56781E-02 -0.35350E+00 11296 0.347E+00 0.593E-01 DAV: 2 -0.676662431074E+03 -0.61309E-02 -0.83497E-02 13600 0.514E-01 0.331E-01 DAV: 3 -0.676661800825E+03 0.63025E-03 -0.19347E-03 14624 0.976E-02 0.203E-01 DAV: 4 -0.676661687220E+03 0.11360E-03 -0.14181E-03 13312 0.818E-02 0.620E-02 DAV: 5 -0.676661701575E+03 -0.14355E-04 -0.20768E-04 13920 0.332E-02 0.327E-02 DAV: 6 -0.676661706924E+03 -0.53490E-05 -0.60154E-05 13408 0.152E-02 55 F= -.68961903E+03 E0= -.68961903E+03 d E =-.206369E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.676639681047E+03 0.22021E-01 -0.15364E+01 11264 0.724E+00 0.123E+00 DAV: 2 -0.676666302986E+03 -0.26622E-01 -0.36536E-01 13536 0.107E+00 0.689E-01 DAV: 3 -0.676663600407E+03 0.27026E-02 -0.85006E-03 14720 0.204E-01 0.424E-01 DAV: 4 -0.676663078315E+03 0.52209E-03 -0.61510E-03 13312 0.171E-01 0.130E-01 DAV: 5 -0.676663128003E+03 -0.49687E-04 -0.91739E-04 13920 0.691E-02 0.696E-02 DAV: 6 -0.676663142799E+03 -0.14796E-04 -0.26985E-04 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rms(c) DAV: 1 -0.676696047706E+03 0.71192E-02 -0.32780E+00 11264 0.333E+00 0.556E-01 DAV: 2 -0.676702597412E+03 -0.65497E-02 -0.75206E-02 13472 0.492E-01 0.245E-01 DAV: 3 -0.676702181314E+03 0.41610E-03 -0.15182E-03 14752 0.854E-02 0.146E-01 DAV: 4 -0.676702116098E+03 0.65215E-04 -0.10225E-03 13824 0.691E-02 0.460E-02 DAV: 5 -0.676702124422E+03 -0.83241E-05 -0.16638E-04 13888 0.303E-02 0.244E-02 DAV: 6 -0.676702128195E+03 -0.37723E-05 -0.40826E-05 13600 0.125E-02 62 F= -.68971963E+03 E0= -.68971963E+03 d E =-.456990E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.676711623974E+03 -0.94996E-02 -0.42201E+00 11328 0.379E+00 0.654E-01 DAV: 2 -0.676719690755E+03 -0.80668E-02 -0.93712E-02 13568 0.552E-01 0.365E-01 DAV: 3 -0.676719185461E+03 0.50529E-03 -0.18432E-03 14592 0.927E-02 0.225E-01 DAV: 4 -0.676719109404E+03 0.76057E-04 -0.15352E-03 13568 0.879E-02 0.447E-02 DAV: 5 -0.676719116288E+03 -0.68834E-05 -0.27328E-04 14112 0.345E-02 0.341E-02 DAV: 6 -0.676719111263E+03 0.50249E-05 -0.69790E-05 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rms(c) DAV: 1 -0.676774121695E+03 -0.45524E-02 -0.15821E+00 11520 0.233E+00 0.428E-01 DAV: 2 -0.676776931159E+03 -0.28095E-02 -0.34385E-02 13824 0.332E-01 0.192E-01 DAV: 3 -0.676776723713E+03 0.20745E-03 -0.82259E-04 14464 0.629E-02 0.109E-01 DAV: 4 -0.676776711837E+03 0.11876E-04 -0.40226E-04 13760 0.429E-02 0.303E-02 DAV: 5 -0.676776721781E+03 -0.99443E-05 -0.61205E-05 13984 0.163E-02 69 F= -.68982508E+03 E0= -.68982508E+03 d E =-.123773E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.676761592566E+03 0.15119E-01 -0.90910E+00 11264 0.558E+00 0.104E+00 DAV: 2 -0.676777620266E+03 -0.16028E-01 -0.19727E-01 13824 0.796E-01 0.466E-01 DAV: 3 -0.676776392455E+03 0.12278E-02 -0.47507E-03 14496 0.151E-01 0.263E-01 DAV: 4 -0.676776311209E+03 0.81246E-04 -0.23438E-03 13760 0.104E-01 0.718E-02 DAV: 5 -0.676776359768E+03 -0.48559E-04 -0.35549E-04 13952 0.387E-02 0.393E-02 DAV: 6 -0.676776364958E+03 -0.51901E-05 -0.93955E-05 13632 0.187E-02 70 F= -.68983729E+03 E0= -.68983729E+03 d E =-.245850E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.676778982279E+03 -0.26225E-02 -0.90067E-01 11584 0.175E+00 0.264E-01 DAV: 2 -0.676780485291E+03 -0.15030E-02 -0.18973E-02 13792 0.247E-01 0.134E-01 DAV: 3 -0.676780380792E+03 0.10450E-03 -0.37587E-04 14368 0.436E-02 0.762E-02 DAV: 4 -0.676780382648E+03 -0.18561E-05 -0.25360E-04 13728 0.337E-02 0.244E-02 DAV: 5 -0.676780387409E+03 -0.47611E-05 -0.38275E-05 13824 0.154E-02 71 F= -.68984672E+03 E0= -.68984672E+03 d E =-.943004E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.676773018003E+03 0.73646E-02 -0.80906E+00 11264 0.524E+00 0.795E-01 DAV: 2 -0.676786374699E+03 -0.13357E-01 -0.17066E-01 13792 0.741E-01 0.405E-01 DAV: 3 -0.676785363555E+03 0.10111E-02 -0.33492E-03 14400 0.132E-01 0.230E-01 DAV: 4 -0.676785346016E+03 0.17538E-04 -0.23682E-03 13664 0.102E-01 0.731E-02 DAV: 5 -0.676785368838E+03 -0.22821E-04 -0.35322E-04 14048 0.471E-02 0.329E-02 DAV: 6 -0.676785384578E+03 -0.15740E-04 -0.86889E-05 13376 0.169E-02 0.201E-02 DAV: 7 -0.676785384398E+03 0.18054E-06 -0.74392E-06 9056 0.820E-03 72 F= -.68986794E+03 E0= -.68986794E+03 d E =-.306488E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.676714197963E+03 0.71187E-01 -0.32304E+01 11264 0.105E+01 0.160E+00 DAV: 2 -0.676767144780E+03 -0.52947E-01 -0.68630E-01 13696 0.149E+00 0.810E-01 DAV: 3 -0.676763067259E+03 0.40775E-02 -0.13501E-02 14464 0.264E-01 0.460E-01 DAV: 4 -0.676762963192E+03 0.10407E-03 -0.96318E-03 13536 0.207E-01 0.146E-01 DAV: 5 -0.676763031644E+03 -0.68452E-04 -0.14365E-03 14240 0.944E-02 0.672E-02 DAV: 6 -0.676763086399E+03 -0.54755E-04 -0.35742E-04 13312 0.345E-02 0.405E-02 DAV: 7 -0.676763083158E+03 0.32411E-05 -0.36524E-05 13472 0.168E-02 73 F= -.68987796E+03 E0= -.68987796E+03 d E =-.406640E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.676762598783E+03 0.48762E-03 -0.29618E+00 11456 0.317E+00 0.534E-01 DAV: 2 -0.676767777911E+03 -0.51791E-02 -0.61808E-02 13472 0.442E-01 0.259E-01 DAV: 3 -0.676767356390E+03 0.42152E-03 -0.11512E-03 14720 0.771E-02 0.151E-01 DAV: 4 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0.225E-01 DAV: 2 -0.676772740709E+03 -0.35123E-03 -0.69584E-03 14336 0.159E-01 0.990E-02 DAV: 3 -0.676772660415E+03 0.80294E-04 -0.32883E-04 14720 0.383E-02 0.548E-02 DAV: 4 -0.676772639000E+03 0.21414E-04 -0.96719E-05 14112 0.212E-02 0.210E-02 DAV: 5 -0.676772635412E+03 0.35885E-05 -0.12366E-05 9536 0.113E-02 76 F= -.68990904E+03 E0= -.68990904E+03 d E =-.101112E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.676786911547E+03 -0.14273E-01 -0.28378E+00 11328 0.323E+00 0.676E-01 DAV: 2 -0.676790057220E+03 -0.31457E-02 -0.62172E-02 14336 0.476E-01 0.297E-01 DAV: 3 -0.676789346281E+03 0.71094E-03 -0.29559E-03 14720 0.114E-01 0.165E-01 DAV: 4 -0.676789169167E+03 0.17711E-03 -0.86166E-04 14112 0.635E-02 0.641E-02 DAV: 5 -0.676789149409E+03 0.19758E-04 -0.12872E-04 14976 0.337E-02 0.239E-02 DAV: 6 -0.676789147832E+03 0.15769E-05 -0.63175E-05 13888 0.169E-02 77 F= -.68992395E+03 E0= -.68992395E+03 d E =-.250217E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.676799624686E+03 -0.10475E-01 -0.57957E-01 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0.174E-01 DAV: 4 -0.677126918778E+03 0.94813E-04 -0.15316E-03 13824 0.864E-02 0.476E-02 DAV: 5 -0.677126935008E+03 -0.16229E-04 -0.23072E-04 14144 0.334E-02 0.290E-02 DAV: 6 -0.677126938420E+03 -0.34121E-05 -0.61225E-05 13728 0.152E-02 150 F= -.69057811E+03 E0= -.69057811E+03 d E =-.108209E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.677127300021E+03 -0.36501E-03 -0.95577E-01 11328 0.179E+00 0.258E-01 DAV: 2 -0.677129055972E+03 -0.17560E-02 -0.22087E-02 13664 0.267E-01 0.125E-01 DAV: 3 -0.677128958477E+03 0.97495E-04 -0.38946E-04 14528 0.428E-02 0.745E-02 DAV: 4 -0.677128940488E+03 0.17989E-04 -0.25900E-04 13824 0.349E-02 0.248E-02 DAV: 5 -0.677128944008E+03 -0.35204E-05 -0.37845E-05 13888 0.151E-02 151 F= -.69058360E+03 E0= -.69058360E+03 d E =-.549406E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677114356178E+03 0.14584E-01 -0.85892E+00 11264 0.537E+00 0.773E-01 DAV: 2 -0.677130002970E+03 -0.15647E-01 -0.19787E-01 13664 0.798E-01 0.379E-01 DAV: 3 -0.677129074907E+03 0.92806E-03 -0.34465E-03 14464 0.128E-01 0.225E-01 DAV: 4 -0.677128876312E+03 0.19860E-03 -0.23762E-03 13824 0.105E-01 0.755E-02 DAV: 5 -0.677128896370E+03 -0.20058E-04 -0.34884E-04 14240 0.461E-02 0.369E-02 DAV: 6 -0.677128906824E+03 -0.10454E-04 -0.96948E-05 13856 0.197E-02 0.195E-02 DAV: 7 -0.677128905328E+03 0.14968E-05 -0.84417E-06 8864 0.832E-03 152 F= -.69059395E+03 E0= -.69059395E+03 d E =-.158464E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.677043681549E+03 0.85225E-01 -0.34367E+01 11264 0.107E+01 0.155E+00 DAV: 2 -0.677105968744E+03 -0.62287E-01 -0.79291E-01 13664 0.159E+00 0.761E-01 DAV: 3 -0.677102223735E+03 0.37450E-02 -0.13759E-02 14496 0.255E-01 0.455E-01 DAV: 4 -0.677101346011E+03 0.87772E-03 -0.94599E-03 13824 0.211E-01 0.153E-01 DAV: 5 -0.677101419335E+03 -0.73324E-04 -0.14282E-03 14240 0.927E-02 0.751E-02 DAV: 6 -0.677101455619E+03 -0.36284E-04 -0.37290E-04 13856 0.388E-02 0.396E-02 DAV: 7 -0.677101447809E+03 0.78105E-05 -0.40398E-05 12992 0.170E-02 153 F= -.69058691E+03 E0= -.69058691E+03 d E =-.880240E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677096129917E+03 0.53257E-02 -0.16316E+01 11264 0.738E+00 0.106E+00 DAV: 2 -0.677126486041E+03 -0.30356E-01 -0.38024E-01 13696 0.110E+00 0.525E-01 DAV: 3 -0.677124627138E+03 0.18589E-02 -0.69643E-03 14464 0.182E-01 0.306E-01 DAV: 4 -0.677124260892E+03 0.36625E-03 -0.46802E-03 13824 0.146E-01 0.105E-01 DAV: 5 -0.677124277553E+03 -0.16661E-04 -0.63507E-04 14272 0.630E-02 0.494E-02 DAV: 6 -0.677124290391E+03 -0.12838E-04 -0.20186E-04 13824 0.282E-02 0.264E-02 DAV: 7 -0.677124283479E+03 0.69121E-05 -0.17147E-05 11168 0.109E-02 154 F= -.69059572E+03 E0= -.69059572E+03 d E =-.176113E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.677119930063E+03 0.43603E-02 -0.22761E+00 11264 0.281E+00 0.479E-01 DAV: 2 -0.677124066236E+03 -0.41362E-02 -0.52865E-02 13856 0.417E-01 0.205E-01 DAV: 3 -0.677123751062E+03 0.31517E-03 -0.10796E-03 14560 0.748E-02 0.117E-01 DAV: 4 -0.677123704096E+03 0.46966E-04 -0.68364E-04 13952 0.602E-02 0.389E-02 DAV: 5 -0.677123709960E+03 -0.58638E-05 -0.11273E-04 14272 0.249E-02 0.219E-02 DAV: 6 -0.677123712296E+03 -0.23362E-05 -0.28644E-05 12704 0.106E-02 155 F= -.69060255E+03 E0= -.69060255E+03 d E =-.683003E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677115778564E+03 0.79314E-02 -0.19328E+00 11264 0.259E+00 0.444E-01 DAV: 2 -0.677119313896E+03 -0.35353E-02 -0.45093E-02 13824 0.385E-01 0.188E-01 DAV: 3 -0.677119051601E+03 0.26229E-03 -0.92427E-04 14592 0.692E-02 0.107E-01 DAV: 4 -0.677119013948E+03 0.37654E-04 -0.58380E-04 13920 0.560E-02 0.360E-02 DAV: 5 -0.677119019254E+03 -0.53062E-05 -0.97733E-05 14272 0.231E-02 156 F= -.69060464E+03 E0= -.69060464E+03 d E =-.892125E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677119972928E+03 -0.95898E-03 -0.15265E+00 11264 0.232E+00 0.343E-01 DAV: 2 -0.677122901983E+03 -0.29291E-02 -0.35862E-02 13792 0.350E-01 0.166E-01 DAV: 3 -0.677122762885E+03 0.13910E-03 -0.75744E-04 14688 0.576E-02 0.997E-02 DAV: 4 -0.677122747446E+03 0.15440E-04 -0.42490E-04 13824 0.439E-02 0.376E-02 DAV: 5 -0.677122753795E+03 -0.63496E-05 -0.59388E-05 14720 0.206E-02 157 F= -.69061055E+03 E0= -.69061055E+03 d E =-.591107E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677114598269E+03 0.81492E-02 -0.47108E+00 11264 0.408E+00 0.603E-01 DAV: 2 -0.677123581678E+03 -0.89834E-02 -0.11034E-01 13792 0.615E-01 0.292E-01 DAV: 3 -0.677123146086E+03 0.43559E-03 -0.23511E-03 14656 0.101E-01 0.174E-01 DAV: 4 -0.677123085423E+03 0.60662E-04 -0.12890E-03 13856 0.766E-02 0.660E-02 DAV: 5 -0.677123101489E+03 -0.16065E-04 -0.18077E-04 14720 0.361E-02 0.268E-02 DAV: 6 -0.677123110876E+03 -0.93877E-05 -0.58661E-05 13792 0.150E-02 158 F= -.69061465E+03 E0= -.69061465E+03 d E =-.100133E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.677125647742E+03 -0.25463E-02 -0.16631E+00 11264 0.240E+00 0.437E-01 DAV: 2 -0.677128987762E+03 -0.33400E-02 -0.38893E-02 13728 0.358E-01 0.163E-01 DAV: 3 -0.677128840580E+03 0.14718E-03 -0.81315E-04 14592 0.605E-02 0.951E-02 DAV: 4 -0.677128830957E+03 0.96225E-05 -0.44799E-04 13824 0.457E-02 0.312E-02 DAV: 5 -0.677128836039E+03 -0.50824E-05 -0.62119E-05 14112 0.191E-02 159 F= -.69062018E+03 E0= -.69062018E+03 d E =-.553209E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677125163586E+03 0.36674E-02 -0.36440E+00 11264 0.356E+00 0.645E-01 DAV: 2 -0.677132478775E+03 -0.73152E-02 -0.85240E-02 13792 0.530E-01 0.241E-01 DAV: 3 -0.677132154508E+03 0.32427E-03 -0.17451E-03 14592 0.891E-02 0.141E-01 DAV: 4 -0.677132135803E+03 0.18705E-04 -0.10045E-03 13824 0.680E-02 0.460E-02 DAV: 5 -0.677132145069E+03 -0.92660E-05 -0.13793E-04 14112 0.288E-02 0.256E-02 DAV: 6 -0.677132149174E+03 -0.41050E-05 -0.49419E-05 13248 0.141E-02 160 F= -.69062313E+03 E0= -.69062313E+03 d E =-.848361E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677134009862E+03 -0.18648E-02 -0.17016E+00 11328 0.243E+00 0.328E-01 DAV: 2 -0.677137406030E+03 -0.33962E-02 -0.37863E-02 13536 0.351E-01 0.162E-01 DAV: 3 -0.677137276918E+03 0.12911E-03 -0.59241E-04 14656 0.515E-02 0.991E-02 DAV: 4 -0.677137274247E+03 0.26711E-05 -0.45483E-04 13856 0.461E-02 0.280E-02 DAV: 5 -0.677137279523E+03 -0.52766E-05 -0.77141E-05 13984 0.203E-02 161 F= -.69062830E+03 E0= -.69062830E+03 d E =-.516119E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677132427839E+03 0.48464E-02 -0.40669E+00 11264 0.375E+00 0.511E-01 DAV: 2 -0.677140533126E+03 -0.81053E-02 -0.90479E-02 13504 0.544E-01 0.252E-01 DAV: 3 -0.677140216119E+03 0.31701E-03 -0.14200E-03 14624 0.802E-02 0.153E-01 DAV: 4 -0.677140208066E+03 0.80527E-05 -0.11004E-03 13856 0.718E-02 0.437E-02 DAV: 5 -0.677140219665E+03 -0.11598E-04 -0.18647E-04 14048 0.320E-02 0.227E-02 DAV: 6 -0.677140221735E+03 -0.20709E-05 -0.44305E-05 13120 0.131E-02 162 F= -.69063119E+03 E0= -.69063119E+03 d E =-.805554E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677142924807E+03 -0.27051E-02 -0.12484E+00 11328 0.207E+00 0.296E-01 DAV: 2 -0.677145361748E+03 -0.24369E-02 -0.27538E-02 13504 0.299E-01 0.140E-01 DAV: 3 -0.677145248575E+03 0.11317E-03 -0.45175E-04 14784 0.456E-02 0.844E-02 DAV: 4 -0.677145239290E+03 0.92847E-05 -0.33936E-04 13824 0.387E-02 0.245E-02 DAV: 5 -0.677145243090E+03 -0.38002E-05 -0.52783E-05 14112 0.168E-02 163 F= -.69063591E+03 E0= -.69063591E+03 d E =-.472481E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677133142744E+03 0.12097E-01 -0.11211E+01 11264 0.619E+00 0.882E-01 DAV: 2 -0.677154810654E+03 -0.21668E-01 -0.24515E-01 13440 0.892E-01 0.421E-01 DAV: 3 -0.677153760912E+03 0.10497E-02 -0.40555E-03 14816 0.137E-01 0.254E-01 DAV: 4 -0.677153656637E+03 0.10428E-03 -0.30647E-03 13824 0.117E-01 0.735E-02 DAV: 5 -0.677153693492E+03 -0.36856E-04 -0.47915E-04 14208 0.510E-02 0.378E-02 DAV: 6 -0.677153704661E+03 -0.11168E-04 -0.10790E-04 13856 0.201E-02 0.227E-02 DAV: 7 -0.677153700859E+03 0.38014E-05 -0.84102E-06 8448 0.802E-03 164 F= -.69064328E+03 E0= -.69064328E+03 d E =-.120867E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.677153336707E+03 0.36795E-03 -0.46916E-01 11392 0.127E+00 0.181E-01 DAV: 2 -0.677154253834E+03 -0.91713E-03 -0.10381E-02 13408 0.184E-01 0.860E-02 DAV: 3 -0.677154209282E+03 0.44552E-04 -0.17625E-04 14816 0.285E-02 0.520E-02 DAV: 4 -0.677154203771E+03 0.55118E-05 -0.13148E-04 13888 0.243E-02 0.155E-02 DAV: 5 -0.677154204895E+03 -0.11244E-05 -0.19792E-05 12064 0.106E-02 165 F= -.69064352E+03 E0= -.69064352E+03 d E =-.123288E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.677156559032E+03 -0.23553E-02 -0.20870E+00 11264 0.267E+00 0.466E-01 DAV: 2 -0.677160697294E+03 -0.41383E-02 -0.47574E-02 13536 0.393E-01 0.206E-01 DAV: 3 -0.677160472043E+03 0.22525E-03 -0.91960E-04 14784 0.660E-02 0.118E-01 DAV: 4 -0.677160448131E+03 0.23912E-04 -0.50878E-04 13824 0.478E-02 0.375E-02 DAV: 5 -0.677160455703E+03 -0.75722E-05 -0.81952E-05 14752 0.219E-02 166 F= -.69064828E+03 E0= -.69064828E+03 d E =-.475797E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677160828432E+03 -0.38030E-03 -0.52793E-01 11328 0.134E+00 0.239E-01 DAV: 2 -0.677161887893E+03 -0.10595E-02 -0.12114E-02 13536 0.198E-01 0.102E-01 DAV: 3 -0.677161835620E+03 0.52273E-04 -0.22774E-04 14816 0.330E-02 0.584E-02 DAV: 4 -0.677161831818E+03 0.38020E-05 -0.12584E-04 13824 0.238E-02 0.183E-02 DAV: 5 -0.677161833203E+03 -0.13848E-05 -0.19048E-05 12128 0.110E-02 167 F= -.69064888E+03 E0= -.69064888E+03 d E =-.536230E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677162608295E+03 -0.77648E-03 -0.50698E-01 11328 0.130E+00 0.220E-01 DAV: 2 -0.677163567664E+03 -0.95937E-03 -0.11222E-02 13504 0.187E-01 0.102E-01 DAV: 3 -0.677163507843E+03 0.59821E-04 -0.18297E-04 14784 0.295E-02 0.590E-02 DAV: 4 -0.677163504827E+03 0.30162E-05 -0.14115E-04 13824 0.242E-02 0.175E-02 DAV: 5 -0.677163507578E+03 -0.27513E-05 -0.20493E-05 11488 0.108E-02 168 F= -.69065147E+03 E0= -.69065147E+03 d E =-.259196E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677160417798E+03 0.30870E-02 -0.18971E+00 11328 0.251E+00 0.427E-01 DAV: 2 -0.677164000823E+03 -0.35830E-02 -0.41933E-02 13568 0.362E-01 0.198E-01 DAV: 3 -0.677163773853E+03 0.22697E-03 -0.68303E-04 14752 0.568E-02 0.115E-01 DAV: 4 -0.677163759826E+03 0.14026E-04 -0.52996E-04 13824 0.471E-02 0.340E-02 DAV: 5 -0.677163769282E+03 -0.94558E-05 -0.81963E-05 13920 0.211E-02 169 F= -.69065347E+03 E0= -.69065347E+03 d E =-.459155E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677164297513E+03 -0.53769E-03 -0.19276E-01 11456 0.797E-01 0.114E-01 DAV: 2 -0.677164660403E+03 -0.36289E-03 -0.41676E-03 13344 0.113E-01 0.564E-02 DAV: 3 -0.677164641550E+03 0.18853E-04 -0.60457E-05 14816 0.175E-02 0.352E-02 DAV: 4 -0.677164641261E+03 0.28840E-06 -0.62689E-05 13312 0.175E-02 170 F= -.69065522E+03 E0= -.69065522E+03 d E =-.174757E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677163161138E+03 0.14804E-02 -0.17389E+00 11392 0.239E+00 0.335E-01 DAV: 2 -0.677166353461E+03 -0.31923E-02 -0.37145E-02 13312 0.338E-01 0.173E-01 DAV: 3 -0.677166159769E+03 0.19369E-03 -0.54869E-04 14816 0.522E-02 0.108E-01 DAV: 4 -0.677166137920E+03 0.21849E-04 -0.60115E-04 13824 0.540E-02 0.292E-02 DAV: 5 -0.677166142881E+03 -0.49606E-05 -0.10946E-04 13696 0.230E-02 0.174E-02 DAV: 6 -0.677166144338E+03 -0.14565E-05 -0.18513E-05 9248 0.885E-03 171 F= -.69065932E+03 E0= -.69065932E+03 d E =-.584541E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677152293550E+03 0.13849E-01 -0.69479E+00 11264 0.479E+00 0.669E-01 DAV: 2 -0.677165019511E+03 -0.12726E-01 -0.14816E-01 13248 0.676E-01 0.346E-01 DAV: 3 -0.677164238015E+03 0.78150E-03 -0.21639E-03 14816 0.103E-01 0.216E-01 DAV: 4 -0.677164135490E+03 0.10252E-03 -0.24020E-03 13824 0.108E-01 0.574E-02 DAV: 5 -0.677164152677E+03 -0.17187E-04 -0.43867E-04 13696 0.455E-02 0.348E-02 DAV: 6 -0.677164156190E+03 -0.35135E-05 -0.81132E-05 13984 0.176E-02 172 F= -.69066237E+03 E0= -.69066237E+03 d E =-.890193E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677166121770E+03 -0.19691E-02 -0.94894E-01 11392 0.176E+00 0.287E-01 DAV: 2 -0.677167936775E+03 -0.18150E-02 -0.20561E-02 13312 0.253E-01 0.145E-01 DAV: 3 -0.677167834301E+03 0.10247E-03 -0.36483E-04 14848 0.427E-02 0.864E-02 DAV: 4 -0.677167823462E+03 0.10838E-04 -0.25883E-04 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187 F= -.69069096E+03 E0= -.69069096E+03 d E =-.382342E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677219447516E+03 0.42767E-02 -0.30800E+00 11264 0.316E+00 0.485E-01 DAV: 2 -0.677225272481E+03 -0.58250E-02 -0.65820E-02 13344 0.443E-01 0.265E-01 DAV: 3 -0.677224868270E+03 0.40421E-03 -0.10255E-03 14848 0.727E-02 0.167E-01 DAV: 4 -0.677224771625E+03 0.96645E-04 -0.10542E-03 13920 0.660E-02 0.388E-02 DAV: 5 -0.677224786824E+03 -0.15200E-04 -0.18884E-04 13952 0.267E-02 0.241E-02 DAV: 6 -0.677224785763E+03 0.10618E-05 -0.12416E-05 9120 0.752E-03 188 F= -.69069273E+03 E0= -.69069273E+03 d E =-.559264E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677225776002E+03 -0.98918E-03 -0.47095E-01 11264 0.123E+00 0.234E-01 DAV: 2 -0.677226694700E+03 -0.91870E-03 -0.10569E-02 13504 0.178E-01 0.108E-01 DAV: 3 -0.677226625733E+03 0.68967E-04 -0.17885E-04 14816 0.308E-02 0.635E-02 DAV: 4 -0.677226617210E+03 0.85225E-05 -0.14050E-04 13856 0.240E-02 0.154E-02 DAV: 5 -0.677226620643E+03 -0.34330E-05 -0.21305E-05 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=-.140486E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677228931040E+03 0.37784E-03 -0.66349E-01 11264 0.149E+00 0.323E-01 DAV: 2 -0.677230193020E+03 -0.12620E-02 -0.14922E-02 14016 0.216E-01 0.175E-01 DAV: 3 -0.677230103118E+03 0.89902E-04 -0.32203E-04 14528 0.394E-02 0.104E-01 DAV: 4 -0.677230099302E+03 0.38160E-05 -0.23012E-04 13888 0.331E-02 0.218E-02 DAV: 5 -0.677230100374E+03 -0.10716E-05 -0.40913E-05 13760 0.148E-02 192 F= -.69069987E+03 E0= -.69069987E+03 d E =-.278117E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677232000715E+03 -0.19014E-02 -0.23313E-01 11264 0.859E-01 0.130E-01 DAV: 2 -0.677232423043E+03 -0.42233E-03 -0.48780E-03 13312 0.121E-01 0.710E-02 DAV: 3 -0.677232395672E+03 0.27372E-04 -0.88896E-05 14336 0.206E-02 0.443E-02 DAV: 4 -0.677232393370E+03 0.23018E-05 -0.94189E-05 13824 0.199E-02 193 F= -.69070160E+03 E0= -.69070160E+03 d E =-.172879E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677233843173E+03 -0.14475E-02 -0.20987E+00 11264 0.258E+00 0.389E-01 DAV: 2 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195 F= -.69070197E+03 E0= -.69070197E+03 d E =-.210603E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677231272296E+03 0.68006E-02 -0.45349E+00 11264 0.379E+00 0.564E-01 DAV: 2 -0.677239295531E+03 -0.80232E-02 -0.93867E-02 13312 0.533E-01 0.317E-01 DAV: 3 -0.677238724746E+03 0.57078E-03 -0.17700E-03 14464 0.910E-02 0.198E-01 DAV: 4 -0.677238642904E+03 0.81842E-04 -0.18783E-03 13824 0.893E-02 0.545E-02 DAV: 5 -0.677238651378E+03 -0.84734E-05 -0.28584E-04 14400 0.379E-02 0.297E-02 DAV: 6 -0.677238653771E+03 -0.23937E-05 -0.75888E-05 13632 0.172E-02 196 F= -.69070521E+03 E0= -.69070521E+03 d E =-.534076E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677240802989E+03 -0.21516E-02 -0.41076E-01 11328 0.114E+00 0.194E-01 DAV: 2 -0.677241539052E+03 -0.73606E-03 -0.85301E-03 13472 0.163E-01 0.111E-01 DAV: 3 -0.677241479515E+03 0.59537E-04 -0.15653E-04 14784 0.275E-02 0.668E-02 DAV: 4 -0.677241470211E+03 0.93047E-05 -0.15116E-04 13856 0.253E-02 0.145E-02 DAV: 5 -0.677241471213E+03 -0.10028E-05 -0.23288E-05 11264 0.104E-02 197 F= -.69070689E+03 E0= -.69070689E+03 d E =-.168464E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677242454009E+03 -0.98380E-03 -0.15414E+00 11264 0.221E+00 0.380E-01 DAV: 2 -0.677245323768E+03 -0.28698E-02 -0.32562E-02 13472 0.317E-01 0.212E-01 DAV: 3 -0.677245127866E+03 0.19590E-03 -0.57137E-04 14784 0.527E-02 0.128E-01 DAV: 4 -0.677245107883E+03 0.19983E-04 -0.54032E-04 13856 0.477E-02 0.269E-02 DAV: 5 -0.677245112666E+03 -0.47826E-05 -0.87808E-05 14048 0.194E-02 198 F= -.69070832E+03 E0= -.69070832E+03 d E =-.310774E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677246879771E+03 -0.17719E-02 -0.28560E-01 11456 0.962E-01 0.163E-01 DAV: 2 -0.677247414143E+03 -0.53437E-03 -0.61303E-03 13472 0.139E-01 0.896E-02 DAV: 3 -0.677247388982E+03 0.25160E-04 -0.11997E-04 14752 0.235E-02 0.545E-02 DAV: 4 -0.677247388660E+03 0.32193E-06 -0.84071E-05 13824 0.190E-02 199 F= -.69071012E+03 E0= -.69071012E+03 d E =-.180144E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677248619599E+03 -0.12306E-02 -0.34526E-01 11392 0.106E+00 0.181E-01 DAV: 2 -0.677249253731E+03 -0.63413E-03 -0.73505E-03 13472 0.153E-01 0.101E-01 DAV: 3 -0.677249221454E+03 0.32277E-04 -0.14776E-04 14752 0.262E-02 0.609E-02 DAV: 4 -0.677249220962E+03 0.49123E-06 -0.10755E-04 13824 0.214E-02 0.162E-02 DAV: 5 -0.677249221948E+03 -0.98559E-06 -0.15037E-05 11168 0.102E-02 200 F= -.69071142E+03 E0= -.69071142E+03 d E =-.310512E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677248417494E+03 0.80347E-03 -0.13792E+00 11328 0.212E+00 0.355E-01 DAV: 2 -0.677250957201E+03 -0.25397E-02 -0.29250E-02 13408 0.305E-01 0.199E-01 DAV: 3 -0.677250819199E+03 0.13800E-03 -0.56847E-04 14784 0.512E-02 0.121E-01 DAV: 4 -0.677250807435E+03 0.11764E-04 -0.42665E-04 13824 0.425E-02 0.314E-02 DAV: 5 -0.677250811882E+03 -0.44467E-05 -0.65731E-05 14176 0.198E-02 201 F= -.69071193E+03 E0= -.69071193E+03 d E =-.361169E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677250379934E+03 0.42750E-03 -0.14264E-01 11456 0.680E-01 0.111E-01 DAV: 2 -0.677250627553E+03 -0.24762E-03 -0.29348E-03 13408 0.973E-02 0.663E-02 DAV: 3 -0.677250609890E+03 0.17664E-04 -0.63860E-05 14272 0.169E-02 0.407E-02 DAV: 4 -0.677250606200E+03 0.36892E-05 -0.45718E-05 13312 0.142E-02 202 F= -.69071208E+03 E0= -.69071208E+03 d E =-.375820E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677252077176E+03 -0.14673E-02 -0.25330E-01 11456 0.904E-01 0.165E-01 DAV: 2 -0.677252539212E+03 -0.46204E-03 -0.52690E-03 13312 0.127E-01 0.720E-02 DAV: 3 -0.677252501275E+03 0.37937E-04 -0.97248E-05 14848 0.221E-02 0.429E-02 DAV: 4 -0.677252494785E+03 0.64907E-05 -0.85251E-05 13856 0.205E-02 203 F= -.69071355E+03 E0= -.69071355E+03 d E =-.147429E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677252813216E+03 -0.31194E-03 -0.21063E+00 11392 0.260E+00 0.486E-01 DAV: 2 -0.677256665490E+03 -0.38523E-02 -0.44016E-02 13312 0.368E-01 0.207E-01 DAV: 3 -0.677256379080E+03 0.28641E-03 -0.82917E-04 14848 0.649E-02 0.123E-01 DAV: 4 -0.677256344401E+03 0.34678E-04 -0.71922E-04 13824 0.603E-02 0.307E-02 DAV: 5 -0.677256352219E+03 -0.78180E-05 -0.12707E-04 13952 0.236E-02 0.220E-02 DAV: 6 -0.677256351396E+03 0.82311E-06 -0.24732E-05 11680 0.101E-02 204 F= -.69071619E+03 E0= -.69071619E+03 d E =-.411384E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677242790944E+03 0.13561E-01 -0.84209E+00 11328 0.521E+00 0.969E-01 DAV: 2 -0.677258223267E+03 -0.15432E-01 -0.17607E-01 13312 0.737E-01 0.414E-01 DAV: 3 -0.677257059565E+03 0.11637E-02 -0.32742E-03 14848 0.129E-01 0.245E-01 DAV: 4 -0.677256899493E+03 0.16007E-03 -0.28571E-03 13824 0.120E-01 0.604E-02 DAV: 5 -0.677256932519E+03 -0.33026E-04 -0.50796E-04 13952 0.468E-02 0.437E-02 DAV: 6 -0.677256928443E+03 0.40760E-05 -0.94667E-05 13696 0.195E-02 205 F= -.69071423E+03 E0= -.69071423E+03 d E =-.215474E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677250682715E+03 0.62498E-02 -0.41584E+00 11360 0.366E+00 0.665E-01 DAV: 2 -0.677258197074E+03 -0.75144E-02 -0.86257E-02 13312 0.517E-01 0.294E-01 DAV: 3 -0.677257593451E+03 0.60362E-03 -0.16421E-03 14816 0.905E-02 0.176E-01 DAV: 4 -0.677257499556E+03 0.93895E-04 -0.14616E-03 13824 0.841E-02 0.437E-02 DAV: 5 -0.677257514305E+03 -0.14750E-04 -0.24602E-04 13920 0.326E-02 0.303E-02 DAV: 6 -0.677257512041E+03 0.22642E-05 -0.51051E-05 12928 0.143E-02 206 F= -.69071661E+03 E0= -.69071661E+03 d E =-.453678E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677259785840E+03 -0.22715E-02 -0.35280E-01 11456 0.106E+00 0.214E-01 DAV: 2 -0.677260472642E+03 -0.68680E-03 -0.77078E-03 14208 0.155E-01 0.114E-01 DAV: 3 -0.677260418928E+03 0.53714E-04 -0.13701E-04 14720 0.260E-02 0.658E-02 DAV: 4 -0.677260413652E+03 0.52758E-05 -0.11434E-04 13888 0.213E-02 0.138E-02 DAV: 5 -0.677260414237E+03 -0.58437E-06 -0.17767E-05 10592 0.966E-03 207 F= -.69071818E+03 E0= -.69071818E+03 d E =-.156968E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677261858278E+03 -0.14446E-02 -0.68799E-01 11456 0.149E+00 0.297E-01 DAV: 2 -0.677263235802E+03 -0.13775E-02 -0.15229E-02 14208 0.217E-01 0.154E-01 DAV: 3 -0.677263144664E+03 0.91139E-04 -0.25982E-04 14688 0.360E-02 0.900E-02 DAV: 4 -0.677263138841E+03 0.58231E-05 -0.21035E-04 13888 0.296E-02 0.186E-02 DAV: 5 -0.677263140768E+03 -0.19275E-05 -0.36536E-05 13152 0.134E-02 208 F= -.69071904E+03 E0= -.69071904E+03 d E =-.242897E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677266071035E+03 -0.29322E-02 -0.48240E-01 11456 0.126E+00 0.205E-01 DAV: 2 -0.677266909146E+03 -0.83811E-03 -0.99820E-03 13696 0.178E-01 0.102E-01 DAV: 3 -0.677266856683E+03 0.52463E-04 -0.19817E-04 14784 0.303E-02 0.626E-02 DAV: 4 -0.677266850282E+03 0.64012E-05 -0.15794E-04 13824 0.269E-02 0.169E-02 DAV: 5 -0.677266850253E+03 0.28303E-07 -0.25593E-05 11968 0.122E-02 209 F= -.69072115E+03 E0= -.69072115E+03 d E =-.210684E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677268512073E+03 -0.16618E-02 -0.25053E+00 11264 0.288E+00 0.464E-01 DAV: 2 -0.677272847027E+03 -0.43350E-02 -0.51626E-02 13696 0.406E-01 0.234E-01 DAV: 3 -0.677272561152E+03 0.28587E-03 -0.10174E-03 14784 0.688E-02 0.144E-01 DAV: 4 -0.677272523752E+03 0.37401E-04 -0.83397E-04 13824 0.618E-02 0.384E-02 DAV: 5 -0.677272526818E+03 -0.30669E-05 -0.14257E-04 14208 0.281E-02 0.221E-02 DAV: 6 -0.677272525043E+03 0.17755E-05 -0.39894E-05 13344 0.130E-02 210 F= -.69072315E+03 E0= -.69072315E+03 d E =-.410578E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677274865583E+03 -0.23388E-02 -0.66858E-01 11392 0.147E+00 0.254E-01 DAV: 2 -0.677276056769E+03 -0.11912E-02 -0.14103E-02 13824 0.211E-01 0.144E-01 DAV: 3 -0.677275957979E+03 0.98790E-04 -0.27483E-04 14752 0.374E-02 0.852E-02 DAV: 4 -0.677275947127E+03 0.10852E-04 -0.20848E-04 13856 0.298E-02 0.189E-02 DAV: 5 -0.677275948674E+03 -0.15469E-05 -0.33903E-05 12384 0.135E-02 211 F= -.69072521E+03 E0= -.69072521E+03 d E =-.206566E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677276949046E+03 -0.10019E-02 -0.66590E-01 11264 0.147E+00 0.253E-01 DAV: 2 -0.677278137355E+03 -0.11883E-02 -0.14044E-02 13824 0.210E-01 0.143E-01 DAV: 3 -0.677278038977E+03 0.98378E-04 -0.27144E-04 14752 0.373E-02 0.844E-02 DAV: 4 -0.677278028537E+03 0.10440E-04 -0.20842E-04 13856 0.297E-02 0.189E-02 DAV: 5 -0.677278029992E+03 -0.14553E-05 -0.33659E-05 12416 0.135E-02 212 F= -.69072593E+03 E0= -.69072593E+03 d E =-.278606E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677281496058E+03 -0.34675E-02 -0.58338E-01 11328 0.136E+00 0.248E-01 DAV: 2 -0.677282501131E+03 -0.10051E-02 -0.12298E-02 13376 0.202E-01 0.143E-01 DAV: 3 -0.677282430548E+03 0.70583E-04 -0.29766E-04 14848 0.375E-02 0.836E-02 DAV: 4 -0.677282421841E+03 0.87069E-05 -0.17513E-04 13664 0.280E-02 0.205E-02 DAV: 5 -0.677282421694E+03 0.14721E-06 -0.24719E-05 11680 0.129E-02 213 F= -.69072824E+03 E0= -.69072824E+03 d E =-.230977E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677284839183E+03 -0.24173E-02 -0.18133E+00 11264 0.240E+00 0.433E-01 DAV: 2 -0.677287960796E+03 -0.31216E-02 -0.38138E-02 13376 0.355E-01 0.251E-01 DAV: 3 -0.677287731972E+03 0.22882E-03 -0.89742E-04 14848 0.653E-02 0.148E-01 DAV: 4 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216 F= -.69073473E+03 E0= -.69073473E+03 d E =-.485959E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677297305104E+03 -0.81021E-03 -0.57373E+00 11264 0.422E+00 0.771E-01 DAV: 2 -0.677307219076E+03 -0.99140E-02 -0.11747E-01 13312 0.610E-01 0.360E-01 DAV: 3 -0.677306550976E+03 0.66810E-03 -0.26462E-03 14848 0.112E-01 0.216E-01 DAV: 4 -0.677306472061E+03 0.78916E-04 -0.17386E-03 13824 0.911E-02 0.558E-02 DAV: 5 -0.677306493841E+03 -0.21780E-04 -0.26743E-04 14048 0.360E-02 0.348E-02 DAV: 6 -0.677306489843E+03 0.39978E-05 -0.76021E-05 13568 0.180E-02 217 F= -.69073885E+03 E0= -.69073885E+03 d E =-.897796E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677277923471E+03 0.28570E-01 -0.22918E+01 11264 0.844E+00 0.154E+00 DAV: 2 -0.677317521180E+03 -0.39598E-01 -0.46862E-01 13312 0.122E+00 0.719E-01 DAV: 3 -0.677314811879E+03 0.27093E-02 -0.10702E-02 14848 0.224E-01 0.432E-01 DAV: 4 -0.677314441142E+03 0.37074E-03 -0.68424E-03 13824 0.181E-01 0.112E-01 DAV: 5 -0.677314537378E+03 -0.96237E-04 -0.10767E-03 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-0.28776E-02 -0.31929E-02 13632 0.318E-01 0.227E-01 DAV: 3 -0.677314686224E+03 0.13027E-03 -0.61315E-04 14656 0.531E-02 0.137E-01 DAV: 4 -0.677314701958E+03 -0.15735E-04 -0.47507E-04 13728 0.450E-02 0.268E-02 DAV: 5 -0.677314706947E+03 -0.49886E-05 -0.72545E-05 14048 0.184E-02 220 F= -.69074346E+03 E0= -.69074346E+03 d E =-.401988E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677308937470E+03 0.57645E-02 -0.54286E+00 11264 0.409E+00 0.773E-01 DAV: 2 -0.677319098866E+03 -0.10161E-01 -0.11172E-01 13632 0.594E-01 0.420E-01 DAV: 3 -0.677318688870E+03 0.41000E-03 -0.21042E-03 14656 0.984E-02 0.254E-01 DAV: 4 -0.677318763768E+03 -0.74898E-04 -0.16183E-03 13760 0.830E-02 0.493E-02 DAV: 5 -0.677318780820E+03 -0.17051E-04 -0.24791E-04 14016 0.340E-02 0.316E-02 DAV: 6 -0.677318781220E+03 -0.40072E-06 -0.50317E-05 13408 0.138E-02 221 F= -.69074666E+03 E0= -.69074666E+03 d E =-.721803E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677320090404E+03 -0.13096E-02 -0.18140E+00 11264 0.232E+00 0.363E-01 DAV: 2 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rms rms(c) DAV: 1 -0.677212311533E+03 0.12003E+00 -0.65047E+01 11264 0.139E+01 0.218E+00 DAV: 2 -0.677329348198E+03 -0.11704E+00 -0.12965E+00 13376 0.198E+00 0.122E+00 DAV: 3 -0.677325329748E+03 0.40184E-02 -0.21838E-02 14816 0.312E-01 0.752E-01 DAV: 4 -0.677326581178E+03 -0.12514E-02 -0.22760E-02 13856 0.308E-01 0.174E-01 DAV: 5 -0.677326609666E+03 -0.28488E-04 -0.35991E-03 13824 0.132E-01 0.113E-01 DAV: 6 -0.677326605623E+03 0.40432E-05 -0.83124E-04 13856 0.574E-02 0.617E-02 DAV: 7 -0.677326580815E+03 0.24807E-04 -0.99630E-05 14144 0.248E-02 0.315E-02 DAV: 8 -0.677326579240E+03 0.15753E-05 -0.38824E-05 13568 0.147E-02 224 F= -.69075975E+03 E0= -.69075975E+03 d E =-.130916E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.677292608604E+03 0.33972E-01 -0.23539E+01 11264 0.837E+00 0.130E+00 DAV: 2 -0.677335246357E+03 -0.42638E-01 -0.46523E-01 13376 0.119E+00 0.736E-01 DAV: 3 -0.677333676192E+03 0.15702E-02 -0.82523E-03 14816 0.190E-01 0.447E-01 DAV: 4 -0.677334124965E+03 -0.44877E-03 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0.414E-02 0.492E-02 DAV: 7 -0.677346793743E+03 0.14746E-04 -0.56949E-05 14048 0.195E-02 0.249E-02 DAV: 8 -0.677346793775E+03 -0.31840E-07 -0.21449E-05 12320 0.116E-02 228 F= -.69077416E+03 E0= -.69077416E+03 d E =-.835360E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677308834205E+03 0.37960E-01 -0.23870E+01 11264 0.837E+00 0.129E+00 DAV: 2 -0.677352944854E+03 -0.44111E-01 -0.47099E-01 13536 0.117E+00 0.710E-01 DAV: 3 -0.677351438584E+03 0.15063E-02 -0.78586E-03 14656 0.182E-01 0.435E-01 DAV: 4 -0.677352042854E+03 -0.60427E-03 -0.72014E-03 13824 0.168E-01 0.990E-02 DAV: 5 -0.677352083786E+03 -0.40932E-04 -0.11284E-03 13824 0.738E-02 0.552E-02 DAV: 6 -0.677352091392E+03 -0.76057E-05 -0.17413E-04 13824 0.250E-02 0.335E-02 DAV: 7 -0.677352081635E+03 0.97566E-05 -0.22109E-05 12448 0.122E-02 229 F= -.69078211E+03 E0= -.69078211E+03 d E =-.162974E-01 N E dE d eps ncg rms rms(c) DAV: 1 -0.677357759566E+03 -0.56682E-02 -0.38004E-01 11392 0.108E+00 0.238E-01 DAV: 2 -0.677358410980E+03 -0.65141E-03 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ncg rms rms(c) DAV: 1 -0.677596586756E+03 -0.21235E-02 -0.56544E-01 11456 0.141E+00 0.335E-01 DAV: 2 -0.677597840601E+03 -0.12538E-02 -0.15228E-02 13952 0.223E-01 0.173E-01 DAV: 3 -0.677597717411E+03 0.12319E-03 -0.36417E-04 14848 0.450E-02 0.101E-01 DAV: 4 -0.677597694572E+03 0.22838E-04 -0.22136E-04 14176 0.323E-02 0.241E-02 DAV: 5 -0.677597693359E+03 0.12135E-05 -0.41334E-05 13664 0.162E-02 256 F= -.69091276E+03 E0= -.69091276E+03 d E =-.244313E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677598166791E+03 -0.47222E-03 -0.20257E-01 11584 0.843E-01 0.202E-01 DAV: 2 -0.677598620211E+03 -0.45342E-03 -0.54906E-03 13920 0.134E-01 0.103E-01 DAV: 3 -0.677598576442E+03 0.43770E-04 -0.12858E-04 14848 0.269E-02 0.598E-02 DAV: 4 -0.677598567514E+03 0.89276E-05 -0.78106E-05 14176 0.197E-02 257 F= -.69091316E+03 E0= -.69091316E+03 d E =-.283800E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677597614682E+03 0.96176E-03 -0.51308E-01 11520 0.134E+00 0.257E-01 DAV: 2 -0.677598668697E+03 -0.10540E-02 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DAV: 1 -0.677607161493E+03 -0.48747E-03 -0.23881E-01 11392 0.910E-01 0.191E-01 DAV: 2 -0.677607635546E+03 -0.47405E-03 -0.56723E-03 13536 0.136E-01 0.749E-02 DAV: 3 -0.677607600881E+03 0.34665E-04 -0.12399E-04 14720 0.237E-02 0.437E-02 DAV: 4 -0.677607592478E+03 0.84030E-05 -0.65264E-05 13824 0.181E-02 279 F= -.69093350E+03 E0= -.69093350E+03 d E =-.108277E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677607646009E+03 -0.45128E-04 -0.44867E-01 11328 0.124E+00 0.243E-01 DAV: 2 -0.677608555088E+03 -0.90908E-03 -0.11012E-02 13856 0.192E-01 0.149E-01 DAV: 3 -0.677608491476E+03 0.63613E-04 -0.26794E-04 14784 0.346E-02 0.901E-02 DAV: 4 -0.677608480362E+03 0.11114E-04 -0.17206E-04 14176 0.278E-02 0.218E-02 DAV: 5 -0.677608479996E+03 0.36550E-06 -0.28355E-05 12320 0.129E-02 280 F= -.69093457E+03 E0= -.69093457E+03 d E =-.107703E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.677607997005E+03 0.48336E-03 -0.30581E-01 11328 0.102E+00 0.203E-01 DAV: 2 -0.677608631193E+03 -0.63419E-03 -0.75653E-03 13888 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