iterations/neb0_image03_iter27_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 0.367335823838E+03 0.36734E+03 -0.14323E+04 632 0.799E+02
DAV: 2 0.403973248938E+01 -0.36330E+03 -0.35018E+03 845 0.195E+02
DAV: 3 -0.953644603780E+02 -0.99404E+02 -0.99074E+02 677 0.116E+02
DAV: 4 -0.998337154383E+02 -0.44693E+01 -0.44575E+01 720 0.281E+01
DAV: 5 -0.999182242262E+02 -0.84509E-01 -0.84461E-01 736 0.351E+00 0.222E+01
DAV: 6 -0.912101614416E+02 0.87081E+01 -0.31000E+01 701 0.300E+01 0.116E+01
DAV: 7 -0.903709732801E+02 0.83919E+00 -0.18542E+00 720 0.639E+00 0.483E+00
DAV: 8 -0.899635800246E+02 0.40739E+00 -0.58785E-01 712 0.444E+00 0.168E+00
DAV: 9 -0.898657281837E+02 0.97852E-01 -0.14362E-01 712 0.180E+00 0.444E-01
DAV: 10 -0.898565868317E+02 0.91414E-02 -0.49448E-02 720 0.122E+00 0.334E-01
DAV: 11 -0.898604725082E+02 -0.38857E-02 -0.94412E-03 605 0.556E-01 0.120E-01
DAV: 12 -0.898631367743E+02 -0.26643E-02 -0.47535E-03 637 0.317E-01 0.131E-01
DAV: 13 -0.898664928887E+02 -0.33561E-02 -0.25672E-03 848 0.401E-01 0.767E-02
DAV: 14 -0.898699049883E+02 -0.34121E-02 -0.12432E-03 634 0.178E-01 0.645E-02
DAV: 15 -0.898720703878E+02 -0.21654E-02 -0.34537E-04 792 0.113E-01 0.362E-02
DAV: 16 -0.898737750526E+02 -0.17047E-02 -0.56518E-04 642 0.130E-01 0.328E-02
DAV: 17 -0.898745543701E+02 -0.77932E-03 -0.94148E-05 693 0.617E-02 0.216E-02
DAV: 18 -0.898748824863E+02 -0.32812E-03 -0.10417E-04 653 0.555E-02 0.797E-03
DAV: 19 -0.898750390319E+02 -0.15655E-03 -0.92515E-06 477 0.155E-02 0.594E-03
DAV: 20 -0.898751232101E+02 -0.84178E-04 -0.12770E-05 461 0.171E-02 0.285E-03
DAV: 21 -0.898751543829E+02 -0.31173E-04 -0.50296E-06 474 0.105E-02 0.229E-03
DAV: 22 -0.898751626734E+02 -0.82905E-05 -0.17372E-06 450 0.717E-03
1 F= -.89875163E+02 E0= -.89880422E+02 d E =0.157790E-01