iterations/neb0_image09_iter207_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 0.373869763333E+03 0.37387E+03 -0.14279E+04 624 0.799E+02
DAV: 2 0.325015586635E+01 -0.37062E+03 -0.35799E+03 869 0.196E+02
DAV: 3 -0.967133212985E+02 -0.99963E+02 -0.99633E+02 661 0.117E+02
DAV: 4 -0.101247499498E+03 -0.45342E+01 -0.45236E+01 720 0.287E+01
DAV: 5 -0.101336538318E+03 -0.89039E-01 -0.88997E-01 720 0.365E+00 0.227E+01
DAV: 6 -0.926734972494E+02 0.86630E+01 -0.31002E+01 725 0.301E+01 0.119E+01
DAV: 7 -0.918096198299E+02 0.86388E+00 -0.17167E+00 720 0.613E+00 0.479E+00
DAV: 8 -0.914345407342E+02 0.37508E+00 -0.54355E-01 712 0.395E+00 0.163E+00
DAV: 9 -0.913534318695E+02 0.81109E-01 -0.13129E-01 712 0.155E+00 0.422E-01
DAV: 10 -0.913452426699E+02 0.81892E-02 -0.44075E-02 776 0.109E+00 0.299E-01
DAV: 11 -0.913496140347E+02 -0.43714E-02 -0.11820E-02 608 0.567E-01 0.133E-01
DAV: 12 -0.913528076004E+02 -0.31936E-02 -0.28156E-03 623 0.244E-01 0.107E-01
DAV: 13 -0.913563072033E+02 -0.34996E-02 -0.12662E-03 663 0.192E-01 0.441E-02
DAV: 14 -0.913596893699E+02 -0.33822E-02 -0.74692E-04 656 0.156E-01 0.366E-02
DAV: 15 -0.913608328998E+02 -0.11435E-02 -0.12884E-04 752 0.809E-02 0.335E-02
DAV: 16 -0.913622958326E+02 -0.14629E-02 -0.34377E-04 645 0.952E-02 0.177E-02
DAV: 17 -0.913627193979E+02 -0.42357E-03 -0.65846E-05 688 0.582E-02 0.124E-02
DAV: 18 -0.913629565236E+02 -0.23713E-03 -0.38342E-05 568 0.280E-02 0.893E-03
DAV: 19 -0.913630427802E+02 -0.86257E-04 -0.98609E-06 488 0.156E-02 0.429E-03
DAV: 20 -0.913630770179E+02 -0.34238E-04 -0.64725E-06 432 0.162E-02 0.175E-03
DAV: 21 -0.913630941338E+02 -0.17116E-04 -0.40528E-06 448 0.946E-03 0.259E-03
DAV: 22 -0.913630969107E+02 -0.27768E-05 -0.63408E-07 488 0.438E-03
1 F= -.91363097E+02 E0= -.91367907E+02 d E =0.144313E-01