iterations/neb0_image03_iter282_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 0.363002082817E+03 0.36300E+03 -0.14322E+04 632 0.799E+02
DAV: 2 0.894309007023E+00 -0.36211E+03 -0.34976E+03 853 0.195E+02
DAV: 3 -0.959964872453E+02 -0.96891E+02 -0.96584E+02 669 0.115E+02
DAV: 4 -0.100298075084E+03 -0.43016E+01 -0.42918E+01 696 0.277E+01
DAV: 5 -0.100383002699E+03 -0.84928E-01 -0.84904E-01 744 0.348E+00 0.223E+01
DAV: 6 -0.917093295443E+02 0.86737E+01 -0.31291E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.908699350633E+02 0.83939E+00 -0.17958E+00 712 0.636E+00 0.485E+00
DAV: 8 -0.904780999836E+02 0.39184E+00 -0.56087E-01 696 0.432E+00 0.170E+00
DAV: 9 -0.903887433061E+02 0.89357E-01 -0.13729E-01 720 0.171E+00 0.444E-01
DAV: 10 -0.903824574131E+02 0.62859E-02 -0.43613E-02 720 0.118E+00 0.329E-01
DAV: 11 -0.903858491090E+02 -0.33917E-02 -0.54847E-03 632 0.571E-01 0.128E-01
DAV: 12 -0.903895441357E+02 -0.36950E-02 -0.61686E-03 616 0.368E-01 0.120E-01
DAV: 13 -0.903938381518E+02 -0.42940E-02 -0.15736E-03 831 0.295E-01 0.788E-02
DAV: 14 -0.903970911261E+02 -0.32530E-02 -0.10115E-03 648 0.142E-01 0.521E-02
DAV: 15 -0.903993539919E+02 -0.22629E-02 -0.37895E-04 669 0.103E-01 0.261E-02
DAV: 16 -0.904007229488E+02 -0.13690E-02 -0.29853E-04 653 0.879E-02 0.243E-02
DAV: 17 -0.904013141562E+02 -0.59121E-03 -0.85537E-05 669 0.589E-02 0.109E-02
DAV: 18 -0.904016503579E+02 -0.33620E-03 -0.77260E-05 644 0.418E-02 0.116E-02
DAV: 19 -0.904017002307E+02 -0.49873E-04 -0.52685E-06 504 0.201E-02 0.618E-03
DAV: 20 -0.904017730878E+02 -0.72857E-04 -0.31147E-05 534 0.317E-02 0.739E-03
DAV: 21 -0.904017956543E+02 -0.22566E-04 -0.57791E-06 472 0.213E-02 0.214E-03
DAV: 22 -0.904018032048E+02 -0.75505E-05 -0.49194E-06 488 0.113E-02
1 F= -.90401803E+02 E0= -.90410041E+02 d E =0.247126E-01