./iterations/neb0_image02_iter201_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 0.366976247414E+03 0.36698E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.213275474623E+01 -0.36484E+03 -0.35284E+03 858 0.196E+02
DAV: 3 -0.956513720262E+02 -0.97784E+02 -0.97453E+02 648 0.116E+02
DAV: 4 -0.100252830669E+03 -0.46015E+01 -0.45909E+01 712 0.291E+01
DAV: 5 -0.100342603563E+03 -0.89773E-01 -0.89735E-01 736 0.366E+00 0.223E+01
DAV: 6 -0.916811276143E+02 0.86615E+01 -0.30941E+01 672 0.299E+01 0.117E+01
DAV: 7 -0.908578781875E+02 0.82325E+00 -0.18334E+00 728 0.637E+00 0.485E+00
DAV: 8 -0.904756404147E+02 0.38224E+00 -0.55424E-01 696 0.431E+00 0.170E+00
DAV: 9 -0.903891746131E+02 0.86466E-01 -0.13726E-01 720 0.168E+00 0.429E-01
DAV: 10 -0.903838383877E+02 0.53362E-02 -0.50226E-02 704 0.129E+00 0.331E-01
DAV: 11 -0.903873798531E+02 -0.35415E-02 -0.79671E-03 616 0.579E-01 0.127E-01
DAV: 12 -0.903905401775E+02 -0.31603E-02 -0.74338E-03 648 0.450E-01 0.140E-01
DAV: 13 -0.903929334008E+02 -0.23932E-02 -0.20096E-03 872 0.350E-01 0.812E-02
DAV: 14 -0.903961945712E+02 -0.32612E-02 -0.14845E-03 621 0.186E-01 0.712E-02
DAV: 15 -0.903980097977E+02 -0.18152E-02 -0.30663E-04 688 0.102E-01 0.561E-02
DAV: 16 -0.903995451787E+02 -0.15354E-02 -0.11018E-03 672 0.198E-01 0.390E-02
DAV: 17 -0.904002441353E+02 -0.69896E-03 -0.13565E-04 680 0.799E-02 0.312E-02
DAV: 18 -0.904006010021E+02 -0.35687E-03 -0.11460E-04 658 0.524E-02 0.120E-02
DAV: 19 -0.904007616210E+02 -0.16062E-03 -0.47683E-05 648 0.354E-02 0.737E-03
DAV: 20 -0.904007987136E+02 -0.37093E-04 -0.39926E-06 488 0.143E-02 0.698E-03
DAV: 21 -0.904008410132E+02 -0.42300E-04 -0.85420E-06 412 0.155E-02 0.415E-03
DAV: 22 -0.904008470578E+02 -0.60446E-05 -0.55253E-06 488 0.143E-02
1 F= -.90400847E+02 E0= -.90406924E+02 d E =0.182322E-01