./iterations/neb0_image02_iter13_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 0.365468956393E+03 0.36547E+03 -0.14287E+04 624 0.799E+02
DAV: 2 0.354591894143E+01 -0.36192E+03 -0.34893E+03 847 0.195E+02
DAV: 3 -0.952506923706E+02 -0.98797E+02 -0.98453E+02 677 0.116E+02
DAV: 4 -0.997081457393E+02 -0.44575E+01 -0.44467E+01 688 0.277E+01
DAV: 5 -0.997952505179E+02 -0.87105E-01 -0.87056E-01 728 0.348E+00 0.220E+01
DAV: 6 -0.910241486862E+02 0.87711E+01 -0.31625E+01 704 0.303E+01 0.115E+01
DAV: 7 -0.902407491213E+02 0.78340E+00 -0.18367E+00 712 0.634E+00 0.481E+00
DAV: 8 -0.898625458693E+02 0.37820E+00 -0.55860E-01 712 0.429E+00 0.173E+00
DAV: 9 -0.897698643142E+02 0.92682E-01 -0.13958E-01 720 0.164E+00 0.433E-01
DAV: 10 -0.897630925125E+02 0.67718E-02 -0.40010E-02 720 0.104E+00 0.305E-01
DAV: 11 -0.897677918965E+02 -0.46994E-02 -0.76527E-03 608 0.558E-01 0.112E-01
DAV: 12 -0.897703810752E+02 -0.25892E-02 -0.36912E-03 640 0.277E-01 0.115E-01
DAV: 13 -0.897741057417E+02 -0.37247E-02 -0.23752E-03 842 0.371E-01 0.843E-02
DAV: 14 -0.897763831225E+02 -0.22774E-02 -0.79423E-04 661 0.142E-01 0.599E-02
DAV: 15 -0.897786109351E+02 -0.22278E-02 -0.83215E-04 680 0.176E-01 0.300E-02
DAV: 16 -0.897797320168E+02 -0.11211E-02 -0.14840E-04 685 0.765E-02 0.241E-02
DAV: 17 -0.897803658972E+02 -0.63388E-03 -0.11290E-04 733 0.643E-02 0.130E-02
DAV: 18 -0.897808693174E+02 -0.50342E-03 -0.78166E-05 650 0.432E-02 0.964E-03
DAV: 19 -0.897809856159E+02 -0.11630E-03 -0.93693E-06 496 0.286E-02 0.484E-03
DAV: 20 -0.897810883108E+02 -0.10269E-03 -0.35758E-05 540 0.293E-02 0.911E-03
DAV: 21 -0.897810976390E+02 -0.93282E-05 -0.49365E-06 512 0.223E-02
1 F= -.89781098E+02 E0= -.89787271E+02 d E =0.185197E-01