./iterations/neb0_image01_iter51_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 0.366672089152E+03 0.36667E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.344871909840E+01 -0.36322E+03 -0.34977E+03 839 0.195E+02
DAV: 3 -0.956697498076E+02 -0.99118E+02 -0.98776E+02 680 0.116E+02
DAV: 4 -0.100197525432E+03 -0.45278E+01 -0.45181E+01 685 0.283E+01
DAV: 5 -0.100288414222E+03 -0.90889E-01 -0.90836E-01 744 0.356E+00 0.222E+01
DAV: 6 -0.916760860393E+02 0.86123E+01 -0.31096E+01 704 0.299E+01 0.117E+01
DAV: 7 -0.908607576712E+02 0.81533E+00 -0.18292E+00 720 0.636E+00 0.484E+00
DAV: 8 -0.904789569273E+02 0.38180E+00 -0.56036E-01 704 0.428E+00 0.168E+00
DAV: 9 -0.903935298314E+02 0.85427E-01 -0.13741E-01 704 0.165E+00 0.430E-01
DAV: 10 -0.903877911211E+02 0.57387E-02 -0.45046E-02 728 0.125E+00 0.315E-01
DAV: 11 -0.903915840249E+02 -0.37929E-02 -0.67318E-03 608 0.473E-01 0.147E-01
DAV: 12 -0.903950152858E+02 -0.34313E-02 -0.66641E-03 632 0.476E-01 0.123E-01
DAV: 13 -0.903978774105E+02 -0.28621E-02 -0.11519E-03 784 0.290E-01 0.781E-02
DAV: 14 -0.904008210304E+02 -0.29436E-02 -0.16705E-03 631 0.197E-01 0.611E-02
DAV: 15 -0.904030656178E+02 -0.22446E-02 -0.48765E-04 744 0.151E-01 0.423E-02
DAV: 16 -0.904041271701E+02 -0.10616E-02 -0.54100E-04 680 0.129E-01 0.344E-02
DAV: 17 -0.904050692917E+02 -0.94212E-03 -0.17903E-04 735 0.878E-02 0.212E-02
DAV: 18 -0.904052590377E+02 -0.18975E-03 -0.50108E-05 704 0.358E-02 0.140E-02
DAV: 19 -0.904055170985E+02 -0.25806E-03 -0.51127E-05 630 0.370E-02 0.437E-03
DAV: 20 -0.904055767240E+02 -0.59626E-04 -0.45444E-06 480 0.123E-02 0.401E-03
DAV: 21 -0.904056208672E+02 -0.44143E-04 -0.54324E-06 425 0.111E-02 0.187E-03
DAV: 22 -0.904056390016E+02 -0.18134E-04 -0.34974E-06 477 0.768E-03 0.153E-03
DAV: 23 -0.904056412237E+02 -0.22221E-05 -0.53851E-07 520 0.387E-03
1 F= -.90405641E+02 E0= -.90411098E+02 d E =0.163708E-01