./iterations/neb0_image02_iter159_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 0.367094290166E+03 0.36709E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.259330228415E+01 -0.36450E+03 -0.35223E+03 853 0.195E+02
DAV: 3 -0.957139361333E+02 -0.98307E+02 -0.97965E+02 664 0.116E+02
DAV: 4 -0.100215367637E+03 -0.45014E+01 -0.44908E+01 728 0.285E+01
DAV: 5 -0.100303914821E+03 -0.88547E-01 -0.88518E-01 744 0.358E+00 0.222E+01
DAV: 6 -0.916788437008E+02 0.86251E+01 -0.30902E+01 688 0.298E+01 0.117E+01
DAV: 7 -0.908568032841E+02 0.82204E+00 -0.18316E+00 704 0.638E+00 0.484E+00
DAV: 8 -0.904754718979E+02 0.38133E+00 -0.56359E-01 704 0.433E+00 0.169E+00
DAV: 9 -0.903897410766E+02 0.85731E-01 -0.13643E-01 712 0.166E+00 0.433E-01
DAV: 10 -0.903841661231E+02 0.55750E-02 -0.48790E-02 712 0.129E+00 0.330E-01
DAV: 11 -0.903873443728E+02 -0.31782E-02 -0.66761E-03 616 0.529E-01 0.144E-01
DAV: 12 -0.903906266573E+02 -0.32823E-02 -0.78947E-03 632 0.472E-01 0.136E-01
DAV: 13 -0.903934540979E+02 -0.28274E-02 -0.20193E-03 888 0.360E-01 0.830E-02
DAV: 14 -0.903963733776E+02 -0.29193E-02 -0.12370E-03 642 0.160E-01 0.644E-02
DAV: 15 -0.903985706842E+02 -0.21973E-02 -0.42317E-04 661 0.112E-01 0.459E-02
DAV: 16 -0.903999968837E+02 -0.14262E-02 -0.71540E-04 680 0.150E-01 0.335E-02
DAV: 17 -0.904008016655E+02 -0.80478E-03 -0.14083E-04 720 0.777E-02 0.200E-02
DAV: 18 -0.904010398890E+02 -0.23822E-03 -0.79023E-05 696 0.438E-02 0.779E-03
DAV: 19 -0.904011790572E+02 -0.13917E-03 -0.17359E-05 450 0.238E-02 0.401E-03
DAV: 20 -0.904012233479E+02 -0.44291E-04 -0.53222E-06 496 0.110E-02 0.278E-03
DAV: 21 -0.904012607714E+02 -0.37423E-04 -0.57903E-06 428 0.137E-02 0.304E-03
DAV: 22 -0.904012718277E+02 -0.11056E-04 -0.17426E-06 488 0.808E-03 0.170E-03
DAV: 23 -0.904012750671E+02 -0.32394E-05 -0.32791E-06 472 0.116E-02
1 F= -.90401275E+02 E0= -.90408358E+02 d E =0.212494E-01