iterations/neb0_image09_iter18_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 0.372672383950E+03 0.37267E+03 -0.14270E+04 624 0.799E+02
DAV: 2 0.237434403656E+01 -0.37030E+03 -0.35779E+03 877 0.195E+02
DAV: 3 -0.965433126505E+02 -0.98918E+02 -0.98588E+02 664 0.116E+02
DAV: 4 -0.101053032657E+03 -0.45097E+01 -0.44993E+01 704 0.285E+01
DAV: 5 -0.101143074188E+03 -0.90042E-01 -0.89995E-01 736 0.363E+00 0.225E+01
DAV: 6 -0.925492262276E+02 0.85938E+01 -0.30866E+01 704 0.301E+01 0.118E+01
DAV: 7 -0.917034075348E+02 0.84582E+00 -0.16862E+00 720 0.617E+00 0.478E+00
DAV: 8 -0.913307416075E+02 0.37267E+00 -0.55085E-01 712 0.397E+00 0.164E+00
DAV: 9 -0.912473887045E+02 0.83353E-01 -0.12938E-01 712 0.155E+00 0.425E-01
DAV: 10 -0.912382264959E+02 0.91622E-02 -0.37695E-02 744 0.976E-01 0.284E-01
DAV: 11 -0.912428314618E+02 -0.46050E-02 -0.11029E-02 616 0.541E-01 0.149E-01
DAV: 12 -0.912455618374E+02 -0.27304E-02 -0.22048E-03 626 0.249E-01 0.884E-02
DAV: 13 -0.912494559216E+02 -0.38941E-02 -0.16106E-03 655 0.193E-01 0.542E-02
DAV: 14 -0.912524121643E+02 -0.29562E-02 -0.79111E-04 792 0.219E-01 0.422E-02
DAV: 15 -0.912541220698E+02 -0.17099E-02 -0.34449E-04 656 0.104E-01 0.332E-02
DAV: 16 -0.912550982806E+02 -0.97621E-03 -0.18879E-04 789 0.824E-02 0.205E-02
DAV: 17 -0.912560638077E+02 -0.96553E-03 -0.19736E-04 645 0.697E-02 0.169E-02
DAV: 18 -0.912562804421E+02 -0.21663E-03 -0.17935E-05 520 0.255E-02 0.115E-02
DAV: 19 -0.912564718366E+02 -0.19139E-03 -0.62850E-05 623 0.403E-02 0.750E-03
DAV: 20 -0.912564780433E+02 -0.62067E-05 -0.47164E-06 536 0.170E-02
1 F= -.91256478E+02 E0= -.91261407E+02 d E =0.147860E-01