./iterations/neb0_image07_iter243_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 0.372014151262E+03 0.37201E+03 -0.14328E+04 632 0.799E+02
DAV: 2 0.387659925223E+01 -0.36814E+03 -0.35628E+03 866 0.194E+02
DAV: 3 -0.966752511775E+02 -0.10055E+03 -0.10020E+03 696 0.116E+02
DAV: 4 -0.101183162911E+03 -0.45079E+01 -0.44967E+01 688 0.280E+01
DAV: 5 -0.101271848415E+03 -0.88686E-01 -0.88633E-01 736 0.355E+00 0.228E+01
DAV: 6 -0.926040230163E+02 0.86678E+01 -0.30805E+01 725 0.300E+01 0.119E+01
DAV: 7 -0.917389758257E+02 0.86505E+00 -0.17395E+00 728 0.621E+00 0.480E+00
DAV: 8 -0.913629814364E+02 0.37599E+00 -0.54140E-01 736 0.397E+00 0.162E+00
DAV: 9 -0.912809861289E+02 0.81995E-01 -0.13054E-01 720 0.154E+00 0.421E-01
DAV: 10 -0.912718362873E+02 0.91498E-02 -0.40471E-02 749 0.103E+00 0.289E-01
DAV: 11 -0.912763833028E+02 -0.45470E-02 -0.12724E-02 608 0.592E-01 0.154E-01
DAV: 12 -0.912792185595E+02 -0.28353E-02 -0.25610E-03 615 0.258E-01 0.877E-02
DAV: 13 -0.912831130262E+02 -0.38945E-02 -0.18008E-03 639 0.206E-01 0.540E-02
DAV: 14 -0.912857378093E+02 -0.26248E-02 -0.72655E-04 749 0.206E-01 0.407E-02
DAV: 15 -0.912879037630E+02 -0.21660E-02 -0.45942E-04 645 0.107E-01 0.362E-02
DAV: 16 -0.912887106182E+02 -0.80686E-03 -0.16369E-04 760 0.866E-02 0.122E-02
DAV: 17 -0.912896030445E+02 -0.89243E-03 -0.16074E-04 717 0.674E-02 0.184E-02
DAV: 18 -0.912898034997E+02 -0.20046E-03 -0.17022E-05 504 0.297E-02 0.117E-02
DAV: 19 -0.912899471063E+02 -0.14361E-03 -0.55814E-05 623 0.400E-02 0.604E-03
DAV: 20 -0.912899708177E+02 -0.23711E-04 -0.34727E-06 512 0.153E-02 0.358E-03
DAV: 21 -0.912899867636E+02 -0.15946E-04 -0.22937E-06 421 0.714E-03 0.211E-03
DAV: 22 -0.912899966261E+02 -0.98624E-05 -0.16054E-06 450 0.697E-03
1 F= -.91289997E+02 E0= -.91295878E+02 d E =0.176452E-01