./iterations/neb0_image09_iter192_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 0.374262982273E+03 0.37426E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.326925604088E+01 -0.37099E+03 -0.35826E+03 869 0.196E+02
DAV: 3 -0.966417780147E+02 -0.99911E+02 -0.99580E+02 653 0.117E+02
DAV: 4 -0.101257290132E+03 -0.46155E+01 -0.46048E+01 720 0.291E+01
DAV: 5 -0.101348308661E+03 -0.91019E-01 -0.90978E-01 728 0.370E+00 0.227E+01
DAV: 6 -0.926763230588E+02 0.86720E+01 -0.30967E+01 725 0.301E+01 0.119E+01
DAV: 7 -0.918087762713E+02 0.86755E+00 -0.17173E+00 720 0.613E+00 0.479E+00
DAV: 8 -0.914337720711E+02 0.37500E+00 -0.54120E-01 712 0.394E+00 0.163E+00
DAV: 9 -0.913520019539E+02 0.81770E-01 -0.13200E-01 712 0.156E+00 0.423E-01
DAV: 10 -0.913437277492E+02 0.82742E-02 -0.44015E-02 776 0.109E+00 0.299E-01
DAV: 11 -0.913480636821E+02 -0.43359E-02 -0.11734E-02 616 0.565E-01 0.132E-01
DAV: 12 -0.913512834165E+02 -0.32197E-02 -0.28278E-03 615 0.246E-01 0.106E-01
DAV: 13 -0.913548182544E+02 -0.35348E-02 -0.11677E-03 661 0.185E-01 0.454E-02
DAV: 14 -0.913582279679E+02 -0.34097E-02 -0.79378E-04 664 0.160E-01 0.379E-02
DAV: 15 -0.913593707513E+02 -0.11428E-02 -0.13460E-04 760 0.815E-02 0.335E-02
DAV: 16 -0.913608614552E+02 -0.14907E-02 -0.33652E-04 640 0.938E-02 0.170E-02
DAV: 17 -0.913613128225E+02 -0.45137E-03 -0.76068E-05 744 0.605E-02 0.126E-02
DAV: 18 -0.913615414069E+02 -0.22858E-03 -0.33106E-05 565 0.255E-02 0.846E-03
DAV: 19 -0.913616176000E+02 -0.76193E-04 -0.10190E-05 496 0.157E-02 0.368E-03
DAV: 20 -0.913616519633E+02 -0.34363E-04 -0.61753E-06 424 0.155E-02 0.170E-03
DAV: 21 -0.913616667694E+02 -0.14806E-04 -0.28442E-06 461 0.750E-03 0.214E-03
DAV: 22 -0.913616692409E+02 -0.24715E-05 -0.51525E-07 496 0.462E-03
1 F= -.91361669E+02 E0= -.91366434E+02 d E =0.142950E-01