iterations/neb0_image05_iter174_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 0.370808655395E+03 0.37081E+03 -0.14307E+04 624 0.799E+02
DAV: 2 0.353125393065E+01 -0.36728E+03 -0.35436E+03 858 0.195E+02
DAV: 3 -0.954201987388E+02 -0.98951E+02 -0.98619E+02 672 0.116E+02
DAV: 4 -0.100024235986E+03 -0.46040E+01 -0.45935E+01 704 0.283E+01
DAV: 5 -0.100118015608E+03 -0.93780E-01 -0.93732E-01 728 0.356E+00 0.223E+01
DAV: 6 -0.915782927086E+02 0.85397E+01 -0.30294E+01 680 0.297E+01 0.118E+01
DAV: 7 -0.907631279456E+02 0.81516E+00 -0.18364E+00 736 0.639E+00 0.482E+00
DAV: 8 -0.903875771653E+02 0.37555E+00 -0.52274E-01 736 0.420E+00 0.171E+00
DAV: 9 -0.902985529929E+02 0.89024E-01 -0.14320E-01 712 0.169E+00 0.442E-01
DAV: 10 -0.902911971375E+02 0.73559E-02 -0.42387E-02 752 0.131E+00 0.322E-01
DAV: 11 -0.902934808654E+02 -0.22837E-02 -0.56994E-03 640 0.513E-01 0.174E-01
DAV: 12 -0.902959308777E+02 -0.24500E-02 -0.65310E-03 629 0.434E-01 0.110E-01
DAV: 13 -0.902990932745E+02 -0.31624E-02 -0.10237E-03 658 0.217E-01 0.784E-02
DAV: 14 -0.903025207330E+02 -0.34275E-02 -0.14587E-03 655 0.180E-01 0.431E-02
DAV: 15 -0.903056457207E+02 -0.31250E-02 -0.35059E-04 677 0.880E-02 0.301E-02
DAV: 16 -0.903072385438E+02 -0.15928E-02 -0.29992E-04 696 0.902E-02 0.193E-02
DAV: 17 -0.903079865691E+02 -0.74803E-03 -0.65786E-05 599 0.457E-02 0.161E-02
DAV: 18 -0.903082730568E+02 -0.28649E-03 -0.48724E-05 648 0.353E-02 0.727E-03
DAV: 19 -0.903083748407E+02 -0.10178E-03 -0.10712E-05 482 0.193E-02 0.250E-03
DAV: 20 -0.903084292585E+02 -0.54418E-04 -0.62626E-06 429 0.100E-02 0.272E-03
DAV: 21 -0.903084539951E+02 -0.24737E-04 -0.27452E-06 474 0.794E-03 0.141E-03
DAV: 22 -0.903084621435E+02 -0.81484E-05 -0.19127E-06 442 0.663E-03
1 F= -.90308462E+02 E0= -.90316764E+02 d E =0.249045E-01