./iterations/neb0_image03_iter178_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.364209090744E+03 0.36421E+03 -0.14324E+04 632 0.799E+02
DAV: 2 0.151110281968E+00 -0.36406E+03 -0.35401E+03 858 0.195E+02
DAV: 3 -0.960622118929E+02 -0.96213E+02 -0.95901E+02 672 0.115E+02
DAV: 4 -0.100259819097E+03 -0.41976E+01 -0.41861E+01 720 0.274E+01
DAV: 5 -0.100342537926E+03 -0.82719E-01 -0.82683E-01 736 0.346E+00 0.222E+01
DAV: 6 -0.917205752713E+02 0.86220E+01 -0.30968E+01 672 0.299E+01 0.117E+01
DAV: 7 -0.908796522495E+02 0.84092E+00 -0.18088E+00 720 0.635E+00 0.484E+00
DAV: 8 -0.904833387908E+02 0.39631E+00 -0.55524E-01 696 0.428E+00 0.170E+00
DAV: 9 -0.903855921171E+02 0.97747E-01 -0.12561E-01 712 0.197E+00 0.450E-01
DAV: 10 -0.903777284664E+02 0.78637E-02 -0.49604E-02 720 0.120E+00 0.356E-01
DAV: 11 -0.903807958655E+02 -0.30674E-02 -0.11476E-02 632 0.734E-01 0.137E-01
DAV: 12 -0.903830942072E+02 -0.22983E-02 -0.60676E-03 621 0.408E-01 0.137E-01
DAV: 13 -0.903867440971E+02 -0.36499E-02 -0.43487E-03 706 0.493E-01 0.864E-02
DAV: 14 -0.903903398299E+02 -0.35957E-02 -0.15030E-03 661 0.242E-01 0.755E-02
DAV: 15 -0.903922507364E+02 -0.19109E-02 -0.41881E-04 664 0.111E-01 0.349E-02
DAV: 16 -0.903945352362E+02 -0.22845E-02 -0.55945E-04 650 0.124E-01 0.306E-02
DAV: 17 -0.903950304709E+02 -0.49523E-03 -0.69290E-05 784 0.791E-02 0.167E-02
DAV: 18 -0.903957633516E+02 -0.73288E-03 -0.19710E-04 766 0.894E-02 0.168E-02
DAV: 19 -0.903960880832E+02 -0.32473E-03 -0.51616E-05 669 0.383E-02 0.789E-03
DAV: 20 -0.903961874255E+02 -0.99342E-04 -0.12638E-05 496 0.203E-02 0.398E-03
DAV: 21 -0.903962770680E+02 -0.89643E-04 -0.29100E-05 513 0.224E-02 0.647E-03
DAV: 22 -0.903962877110E+02 -0.10643E-04 -0.23355E-06 520 0.171E-02 0.375E-03
DAV: 23 -0.903962996327E+02 -0.11922E-04 -0.16589E-05 429 0.280E-02 0.580E-03
DAV: 24 -0.903963005785E+02 -0.94581E-06 -0.34311E-06 528 0.151E-02
1 F= -.90396301E+02 E0= -.90402267E+02 d E =0.178987E-01