iterations/neb0_image03_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 0.363110927094E+03 0.36311E+03 -0.14323E+04 632 0.799E+02
DAV: 2 0.114447972496E+01 -0.36197E+03 -0.35206E+03 839 0.195E+02
DAV: 3 -0.959439998506E+02 -0.97088E+02 -0.96760E+02 672 0.115E+02
DAV: 4 -0.100285521246E+03 -0.43415E+01 -0.43297E+01 704 0.277E+01
DAV: 5 -0.100371077178E+03 -0.85556E-01 -0.85525E-01 728 0.349E+00 0.222E+01
DAV: 6 -0.917143953816E+02 0.86567E+01 -0.31288E+01 677 0.299E+01 0.117E+01
DAV: 7 -0.908770087092E+02 0.83739E+00 -0.17916E+00 720 0.632E+00 0.483E+00
DAV: 8 -0.904863291192E+02 0.39068E+00 -0.55648E-01 704 0.425E+00 0.169E+00
DAV: 9 -0.903948106508E+02 0.91518E-01 -0.12981E-01 720 0.168E+00 0.435E-01
DAV: 10 -0.903881184760E+02 0.66922E-02 -0.42875E-02 701 0.111E+00 0.324E-01
DAV: 11 -0.903927428951E+02 -0.46244E-02 -0.80410E-03 624 0.598E-01 0.124E-01
DAV: 12 -0.903952640479E+02 -0.25212E-02 -0.32875E-03 632 0.311E-01 0.101E-01
DAV: 13 -0.904001565306E+02 -0.48925E-02 -0.20515E-03 626 0.235E-01 0.886E-02
DAV: 14 -0.904033724341E+02 -0.32159E-02 -0.11488E-03 677 0.168E-01 0.358E-02
DAV: 15 -0.904052528622E+02 -0.18804E-02 -0.23808E-04 672 0.716E-02 0.250E-02
DAV: 16 -0.904068533906E+02 -0.16005E-02 -0.23056E-04 658 0.705E-02 0.116E-02
DAV: 17 -0.904073354326E+02 -0.48204E-03 -0.38642E-05 624 0.287E-02 0.110E-02
DAV: 18 -0.904076995639E+02 -0.36413E-03 -0.73310E-05 634 0.419E-02 0.742E-03
DAV: 19 -0.904077307367E+02 -0.31173E-04 -0.52494E-06 512 0.182E-02 0.500E-03
DAV: 20 -0.904077676629E+02 -0.36926E-04 -0.92479E-06 418 0.177E-02 0.268E-03
DAV: 21 -0.904078036074E+02 -0.35944E-04 -0.57758E-06 469 0.112E-02 0.227E-03
DAV: 22 -0.904078078318E+02 -0.42244E-05 -0.10220E-06 536 0.506E-03
1 F= -.90407808E+02 E0= -.90415983E+02 d E =0.245257E-01