N E dE d eps ncg rms rms(c) DAV: 1 0.223992703115E+04 0.22399E+04 -0.19283E+05 3168 0.165E+03 DAV: 2 -0.381159344626E+03 -0.26211E+04 -0.25403E+04 4032 0.332E+02 DAV: 3 -0.557573586769E+03 -0.17641E+03 -0.17546E+03 3840 0.905E+01 DAV: 4 -0.559826489821E+03 -0.22529E+01 -0.22453E+01 4032 0.110E+01 DAV: 5 -0.559864153211E+03 -0.37663E-01 -0.37642E-01 3808 0.139E+00 0.918E+01 DAV: 6 -0.506023409343E+03 0.53841E+02 -0.18727E+02 3808 0.301E+01 0.404E+01 DAV: 7 -0.505904382313E+03 0.11903E+00 -0.11402E+01 3808 0.733E+00 0.189E+01 DAV: 8 -0.505705515079E+03 0.19887E+00 -0.81466E-01 3808 0.243E+00 0.281E+00 DAV: 9 -0.505719213356E+03 -0.13698E-01 -0.67744E-02 3840 0.654E-01 0.981E-01 DAV: 10 -0.505731273895E+03 -0.12061E-01 -0.13317E-02 3584 0.349E-01 0.282E-01 DAV: 11 -0.505733543136E+03 -0.22692E-02 -0.30849E-03 3840 0.190E-01 0.867E-02 DAV: 12 -0.505733836304E+03 -0.29317E-03 -0.48746E-04 3616 0.632E-02 0.515E-02 DAV: 13 -0.505733946387E+03 -0.11008E-03 -0.11120E-04 2624 0.322E-02 0.321E-02 DAV: 14 -0.505733964294E+03 -0.17906E-04 -0.50373E-05 2528 0.307E-02 1 F= -.51155251E+03 E0= -.51155251E+03 d E =-.511553E+03 N E dE d eps ncg rms rms(c) DAV: 1 -0.505731116941E+03 0.28294E-02 -0.10003E+00 3584 0.245E+00 0.658E-01 DAV: 2 -0.505732449280E+03 -0.13323E-02 -0.26136E-02 3904 0.378E-01 0.436E-01 DAV: 3 -0.505732126577E+03 0.32270E-03 -0.84920E-04 3968 0.901E-02 0.226E-01 DAV: 4 -0.505732085153E+03 0.41424E-04 -0.48239E-04 3808 0.597E-02 2 F= -.51155480E+03 E0= -.51155480E+03 d E =-.228383E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505733460201E+03 -0.13336E-02 -0.78241E-02 3584 0.687E-01 0.165E-01 DAV: 2 -0.505733546611E+03 -0.86410E-04 -0.19530E-03 3872 0.105E-01 0.114E-01 DAV: 3 -0.505733517914E+03 0.28697E-04 -0.65919E-05 2624 0.258E-02 3 F= -.51155505E+03 E0= -.51155505E+03 d E =-.254230E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505732143602E+03 0.14030E-02 -0.29302E-01 3584 0.133E+00 0.204E-01 DAV: 2 -0.505732206142E+03 -0.62540E-04 -0.65265E-03 4032 0.191E-01 0.921E-02 DAV: 3 -0.505732112486E+03 0.93656E-04 -0.14771E-04 2656 0.388E-02 4 F= -.51155739E+03 E0= -.51155739E+03 d E =-.233836E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505727687689E+03 0.45185E-02 -0.59435E-01 3328 0.189E+00 0.301E-01 DAV: 2 -0.505727682643E+03 0.50461E-05 -0.12581E-02 4000 0.267E-01 0.142E-01 DAV: 3 -0.505727503349E+03 0.17929E-03 -0.35662E-04 3840 0.553E-02 0.732E-02 DAV: 4 -0.505727462266E+03 0.41083E-04 -0.23794E-04 3168 0.452E-02 5 F= -.51155813E+03 E0= -.51155813E+03 d E =-.307541E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505728985418E+03 -0.14821E-02 -0.40974E-02 3584 0.497E-01 0.725E-02 DAV: 2 -0.505728988519E+03 -0.31008E-05 -0.86160E-04 4000 0.702E-02 6 F= -.51155825E+03 E0= -.51155825E+03 d E =-.319421E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505727568356E+03 0.14171E-02 -0.12791E-01 3520 0.868E-01 0.163E-01 DAV: 2 -0.505727539723E+03 0.28634E-04 -0.27062E-03 4000 0.125E-01 0.771E-02 DAV: 3 -0.505727511067E+03 0.28656E-04 -0.11376E-04 2240 0.282E-02 7 F= -.51155980E+03 E0= -.51155980E+03 d E =-.155568E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505721404730E+03 0.61350E-02 -0.11380E+00 3200 0.259E+00 0.501E-01 DAV: 2 -0.505720918933E+03 0.48580E-03 -0.23186E-02 4032 0.366E-01 0.239E-01 DAV: 3 -0.505720605669E+03 0.31326E-03 -0.11618E-03 3808 0.863E-02 0.105E-01 DAV: 4 -0.505720556306E+03 0.49364E-04 -0.29368E-04 3584 0.487E-02 8 F= -.51156196E+03 E0= -.51156196E+03 d E =-.371278E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505719499316E+03 0.11064E-02 -0.13200E-01 3392 0.883E-01 0.145E-01 DAV: 2 -0.505719492458E+03 0.68576E-05 -0.24485E-03 3840 0.121E-01 0.662E-02 DAV: 3 -0.505719447930E+03 0.44528E-04 -0.10761E-04 2528 0.307E-02 9 F= -.51156380E+03 E0= -.51156380E+03 d E =-.183358E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505713411248E+03 0.60812E-02 -0.11821E+00 3136 0.264E+00 0.438E-01 DAV: 2 -0.505713209970E+03 0.20128E-03 -0.21446E-02 3840 0.361E-01 0.200E-01 DAV: 3 -0.505712772613E+03 0.43736E-03 -0.11031E-03 4000 0.942E-02 0.948E-02 DAV: 4 -0.505712684863E+03 0.87750E-04 -0.29885E-04 3296 0.512E-02 10 F= -.51156588E+03 E0= -.51156588E+03 d E =-.391980E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505712570598E+03 0.20202E-03 -0.46591E-02 3520 0.522E-01 0.978E-02 DAV: 2 -0.505712589737E+03 -0.19140E-04 -0.81892E-04 3904 0.698E-02 11 F= -.51156683E+03 E0= -.51156683E+03 d E =-.950883E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.505711763628E+03 0.80697E-03 -0.41681E-01 3136 0.156E+00 0.280E-01 DAV: 2 -0.505711874475E+03 -0.11085E-03 -0.71991E-03 3904 0.206E-01 0.133E-01 DAV: 3 -0.505711700398E+03 0.17408E-03 -0.25815E-04 3168 0.493E-02 0.657E-02 DAV: 4 -0.505711665532E+03 0.34866E-04 -0.15166E-04 2304 0.352E-02 12 F= -.51156905E+03 E0= -.51156905E+03 d E =-.317047E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505707123223E+03 0.45772E-02 -0.16773E+00 3136 0.314E+00 0.541E-01 DAV: 2 -0.505707902477E+03 -0.77925E-03 -0.29935E-02 3904 0.418E-01 0.244E-01 DAV: 3 -0.505707322160E+03 0.58032E-03 -0.10035E-03 4032 0.929E-02 0.124E-01 DAV: 4 -0.505707182903E+03 0.13926E-03 -0.49116E-04 3808 0.635E-02 0.344E-02 DAV: 5 -0.505707185055E+03 -0.21521E-05 -0.59431E-05 2240 0.240E-02 13 F= -.51157088E+03 E0= -.51157088E+03 d E =-.500330E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505708666779E+03 -0.14839E-02 -0.33626E-02 3584 0.447E-01 0.524E-02 DAV: 2 -0.505708703105E+03 -0.36327E-04 -0.66401E-04 3840 0.644E-02 14 F= -.51157193E+03 E0= -.51157193E+03 d E =-.105011E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505711586673E+03 -0.29199E-02 -0.29897E-01 3200 0.133E+00 0.156E-01 DAV: 2 -0.505711868117E+03 -0.28144E-03 -0.56244E-03 3808 0.185E-01 0.996E-02 DAV: 3 -0.505711774194E+03 0.93923E-04 -0.19633E-04 2912 0.406E-02 15 F= -.51157360E+03 E0= -.51157360E+03 d E =-.271740E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505712289027E+03 -0.42091E-03 -0.34421E-02 3584 0.450E-01 0.600E-02 DAV: 2 -0.505712308019E+03 -0.18992E-04 -0.57931E-04 3904 0.626E-02 16 F= -.51157365E+03 E0= -.51157365E+03 d E =-.276432E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505713430301E+03 -0.11413E-02 -0.35606E-02 3264 0.460E-01 0.102E-01 DAV: 2 -0.505713456946E+03 -0.26645E-04 -0.66405E-04 3840 0.628E-02 17 F= -.51157450E+03 E0= -.51157450E+03 d E =-.847726E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.505715951828E+03 -0.25215E-02 -0.32205E-01 3136 0.138E+00 0.285E-01 DAV: 2 -0.505716237721E+03 -0.28589E-03 -0.60769E-03 3840 0.190E-01 0.902E-02 DAV: 3 -0.505716145968E+03 0.91753E-04 -0.21436E-04 3136 0.399E-02 18 F= -.51157628E+03 E0= -.51157628E+03 d E =-.263526E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505717245992E+03 -0.10083E-02 -0.12867E+00 3136 0.276E+00 0.562E-01 DAV: 2 -0.505718484118E+03 -0.12381E-02 -0.24321E-02 3808 0.381E-01 0.169E-01 DAV: 3 -0.505718176304E+03 0.30781E-03 -0.91261E-04 3968 0.791E-02 0.867E-02 DAV: 4 -0.505718100795E+03 0.75509E-04 -0.31037E-04 3552 0.509E-02 19 F= -.51157645E+03 E0= -.51157645E+03 d E =-.279645E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505717508774E+03 0.66753E-03 -0.28886E-01 3136 0.131E+00 0.249E-01 DAV: 2 -0.505717818155E+03 -0.30938E-03 -0.56820E-03 3808 0.182E-01 0.761E-02 DAV: 3 -0.505717745318E+03 0.72837E-04 -0.17419E-04 3072 0.361E-02 20 F= -.51157694E+03 E0= -.51157694E+03 d E =-.328676E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505718828342E+03 -0.10102E-02 -0.58850E-02 3200 0.578E-01 0.548E-02 DAV: 2 -0.505718923943E+03 -0.95601E-04 -0.12751E-03 3936 0.845E-02 0.311E-02 DAV: 3 -0.505718913441E+03 0.10502E-04 -0.33030E-05 2240 0.173E-02 21 F= -.51157781E+03 E0= -.51157781E+03 d E =-.870425E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.505720064711E+03 -0.11408E-02 -0.32065E-01 3136 0.135E+00 0.139E-01 DAV: 2 -0.505720501431E+03 -0.43672E-03 -0.63761E-03 3936 0.189E-01 0.800E-02 DAV: 3 -0.505720433068E+03 0.68363E-04 -0.18428E-04 2624 0.413E-02 22 F= -.51157862E+03 E0= -.51157862E+03 d E =-.168671E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505721772646E+03 -0.12712E-02 -0.47218E-02 3264 0.524E-01 0.898E-02 DAV: 2 -0.505721801745E+03 -0.29099E-04 -0.78488E-04 3808 0.697E-02 23 F= -.51157938E+03 E0= -.51157938E+03 d E =-.758173E-03 N E dE d eps ncg rms rms(c) DAV: 1 -0.505724936475E+03 -0.31638E-02 -0.43240E-01 3136 0.159E+00 0.259E-01 DAV: 2 -0.505725313430E+03 -0.37695E-03 -0.77809E-03 3808 0.214E-01 0.964E-02 DAV: 3 -0.505725193972E+03 0.11946E-03 -0.23413E-04 3328 0.452E-02 0.526E-02 DAV: 4 -0.505725160006E+03 0.33966E-04 -0.14056E-04 2272 0.361E-02 24 F= -.51158091E+03 E0= -.51158091E+03 d E =-.228810E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505727319310E+03 -0.21253E-02 -0.17406E+00 3136 0.319E+00 0.513E-01 DAV: 2 -0.505729116456E+03 -0.17971E-02 -0.32273E-02 3808 0.435E-01 0.176E-01 DAV: 3 -0.505728726334E+03 0.39012E-03 -0.95092E-04 3968 0.866E-02 0.970E-02 DAV: 4 -0.505728613406E+03 0.11293E-03 -0.45094E-04 3808 0.634E-02 0.310E-02 DAV: 5 -0.505728607317E+03 0.60892E-05 -0.60350E-05 2240 0.280E-02 25 F= -.51158072E+03 E0= -.51158072E+03 d E =-.209296E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505726751384E+03 0.18620E-02 -0.58177E-01 3136 0.185E+00 0.286E-01 DAV: 2 -0.505727319198E+03 -0.56781E-03 -0.10763E-02 3808 0.252E-01 0.102E-01 DAV: 3 -0.505727188148E+03 0.13105E-03 -0.33868E-04 4000 0.504E-02 0.592E-02 DAV: 4 -0.505727147782E+03 0.40366E-04 -0.13757E-04 2272 0.363E-02 26 F= -.51158136E+03 E0= -.51158136E+03 d E =-.273855E-02 N E dE d eps ncg rms rms(c) DAV: 1 -0.505728181090E+03 -0.99294E-03 -0.85368E-02 3136 0.713E-01 0.114E-01 DAV: 2 -0.505728335740E+03 -0.15465E-03 -0.19978E-03 4032 0.106E-01 0.539E-02 DAV: 3 -0.505728305334E+03 0.30406E-04 -0.67708E-05 2240 0.277E-02 27 F= -.51158222E+03 E0= -.51158222E+03 d E =-.862214E-03