iterations/neb0_image09_iter221_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 0.374046119499E+03 0.37405E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.329351781477E+01 -0.37075E+03 -0.35812E+03 869 0.196E+02
DAV: 3 -0.967246004751E+02 -0.10002E+03 -0.99688E+02 661 0.117E+02
DAV: 4 -0.101258006005E+03 -0.45334E+01 -0.45228E+01 720 0.287E+01
DAV: 5 -0.101346979477E+03 -0.88973E-01 -0.88933E-01 720 0.365E+00 0.227E+01
DAV: 6 -0.926776191967E+02 0.86694E+01 -0.30987E+01 725 0.301E+01 0.119E+01
DAV: 7 -0.918104174500E+02 0.86720E+00 -0.17152E+00 720 0.613E+00 0.479E+00
DAV: 8 -0.914348176901E+02 0.37560E+00 -0.54477E-01 712 0.395E+00 0.162E+00
DAV: 9 -0.913539895353E+02 0.80828E-01 -0.13145E-01 712 0.155E+00 0.422E-01
DAV: 10 -0.913458125268E+02 0.81770E-02 -0.44123E-02 760 0.109E+00 0.300E-01
DAV: 11 -0.913501975650E+02 -0.43850E-02 -0.11877E-02 608 0.567E-01 0.133E-01
DAV: 12 -0.913534285108E+02 -0.32309E-02 -0.28611E-03 623 0.246E-01 0.107E-01
DAV: 13 -0.913568947538E+02 -0.34662E-02 -0.12499E-03 679 0.193E-01 0.438E-02
DAV: 14 -0.913602617482E+02 -0.33670E-02 -0.73270E-04 656 0.155E-01 0.364E-02
DAV: 15 -0.913614436549E+02 -0.11819E-02 -0.13216E-04 760 0.796E-02 0.335E-02
DAV: 16 -0.913628888928E+02 -0.14452E-02 -0.33124E-04 645 0.936E-02 0.170E-02
DAV: 17 -0.913633264180E+02 -0.43753E-03 -0.64192E-05 680 0.569E-02 0.127E-02
DAV: 18 -0.913635538831E+02 -0.22747E-03 -0.37248E-05 568 0.279E-02 0.882E-03
DAV: 19 -0.913636378925E+02 -0.84009E-04 -0.96165E-06 488 0.152E-02 0.428E-03
DAV: 20 -0.913636707289E+02 -0.32836E-04 -0.57446E-06 432 0.147E-02 0.173E-03
DAV: 21 -0.913636880381E+02 -0.17309E-04 -0.37354E-06 442 0.893E-03 0.227E-03
DAV: 22 -0.913636906011E+02 -0.25630E-05 -0.60126E-07 496 0.415E-03
1 F= -.91363691E+02 E0= -.91368523E+02 d E =0.144982E-01