iterations/neb0_image02_iter162_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 0.364065421359E+03 0.36407E+03 -0.14331E+04 632 0.799E+02
DAV: 2 0.187540586217E+01 -0.36219E+03 -0.35008E+03 853 0.195E+02
DAV: 3 -0.956277788231E+02 -0.97503E+02 -0.97167E+02 648 0.115E+02
DAV: 4 -0.100235586702E+03 -0.46078E+01 -0.45970E+01 728 0.291E+01
DAV: 5 -0.100326635361E+03 -0.91049E-01 -0.91019E-01 752 0.367E+00 0.222E+01
DAV: 6 -0.916832271433E+02 0.86434E+01 -0.30916E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908618852970E+02 0.82134E+00 -0.18447E+00 704 0.637E+00 0.484E+00
DAV: 8 -0.904802785907E+02 0.38161E+00 -0.56022E-01 696 0.433E+00 0.169E+00
DAV: 9 -0.903938625781E+02 0.86416E-01 -0.13663E-01 712 0.167E+00 0.431E-01
DAV: 10 -0.903883037787E+02 0.55588E-02 -0.49504E-02 704 0.129E+00 0.331E-01
DAV: 11 -0.903917231441E+02 -0.34194E-02 -0.72842E-03 616 0.555E-01 0.133E-01
DAV: 12 -0.903949419236E+02 -0.32188E-02 -0.75517E-03 640 0.451E-01 0.137E-01
DAV: 13 -0.903975759014E+02 -0.26340E-02 -0.20390E-03 872 0.360E-01 0.835E-02
DAV: 14 -0.904006463877E+02 -0.30705E-02 -0.13530E-03 642 0.168E-01 0.686E-02
DAV: 15 -0.904027051199E+02 -0.20587E-02 -0.38449E-04 661 0.111E-01 0.504E-02
DAV: 16 -0.904041573489E+02 -0.14522E-02 -0.91593E-04 672 0.173E-01 0.378E-02
DAV: 17 -0.904049284155E+02 -0.77107E-03 -0.16426E-04 792 0.877E-02 0.219E-02
DAV: 18 -0.904052107605E+02 -0.28234E-03 -0.75181E-05 680 0.407E-02 0.754E-03
DAV: 19 -0.904053605096E+02 -0.14975E-03 -0.23853E-05 533 0.239E-02 0.493E-03
DAV: 20 -0.904053908097E+02 -0.30300E-04 -0.31924E-06 520 0.115E-02 0.441E-03
DAV: 21 -0.904054437518E+02 -0.52942E-04 -0.94486E-06 406 0.148E-02 0.303E-03
DAV: 22 -0.904054480845E+02 -0.43326E-05 -0.24988E-06 496 0.101E-02
1 F= -.90405448E+02 E0= -.90412324E+02 d E =0.206283E-01