./iterations/neb0_image02_iter213_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 0.366723632508E+03 0.36672E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.137242318560E+01 -0.36535E+03 -0.35441E+03 869 0.196E+02
DAV: 3 -0.957334048398E+02 -0.97106E+02 -0.96773E+02 648 0.116E+02
DAV: 4 -0.100244944763E+03 -0.45115E+01 -0.45009E+01 704 0.289E+01
DAV: 5 -0.100333455890E+03 -0.88511E-01 -0.88472E-01 736 0.363E+00 0.222E+01
DAV: 6 -0.916758208346E+02 0.86576E+01 -0.30952E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908547896114E+02 0.82103E+00 -0.18329E+00 712 0.637E+00 0.484E+00
DAV: 8 -0.904738847989E+02 0.38090E+00 -0.55433E-01 696 0.431E+00 0.169E+00
DAV: 9 -0.903882645620E+02 0.85620E-01 -0.13578E-01 720 0.168E+00 0.428E-01
DAV: 10 -0.903832398157E+02 0.50247E-02 -0.48359E-02 704 0.124E+00 0.329E-01
DAV: 11 -0.903871182805E+02 -0.38785E-02 -0.82874E-03 640 0.629E-01 0.114E-01
DAV: 12 -0.903897660910E+02 -0.26478E-02 -0.56181E-03 640 0.362E-01 0.126E-01
DAV: 13 -0.903927073414E+02 -0.29413E-02 -0.17435E-03 848 0.317E-01 0.833E-02
DAV: 14 -0.903958111891E+02 -0.31038E-02 -0.11672E-03 637 0.152E-01 0.646E-02
DAV: 15 -0.903977711901E+02 -0.19600E-02 -0.35527E-04 704 0.111E-01 0.423E-02
DAV: 16 -0.903991758956E+02 -0.14047E-02 -0.74540E-04 680 0.152E-01 0.368E-02
DAV: 17 -0.903998033850E+02 -0.62749E-03 -0.16630E-04 872 0.842E-02 0.185E-02
DAV: 18 -0.903999560232E+02 -0.15264E-03 -0.38207E-05 712 0.318E-02 0.772E-03
DAV: 19 -0.904001672071E+02 -0.21118E-03 -0.25002E-05 499 0.239E-02 0.397E-03
DAV: 20 -0.904002214118E+02 -0.54205E-04 -0.42354E-06 496 0.105E-02 0.260E-03
DAV: 21 -0.904002705842E+02 -0.49172E-04 -0.79587E-06 428 0.126E-02 0.205E-03
DAV: 22 -0.904002768450E+02 -0.62608E-05 -0.14807E-06 504 0.567E-03
1 F= -.90400277E+02 E0= -.90407544E+02 d E =0.218005E-01