iterations/neb0_image07_iter24_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 0.369638278262E+03 0.36964E+03 -0.14283E+04 632 0.799E+02
DAV: 2 0.330577631151E+01 -0.36633E+03 -0.35359E+03 861 0.194E+02
DAV: 3 -0.953646449259E+02 -0.98670E+02 -0.98312E+02 648 0.116E+02
DAV: 4 -0.100000872109E+03 -0.46362E+01 -0.46234E+01 720 0.293E+01
DAV: 5 -0.100094080067E+03 -0.93208E-01 -0.93176E-01 728 0.373E+00 0.222E+01
DAV: 6 -0.915548175022E+02 0.85393E+01 -0.30746E+01 696 0.304E+01 0.116E+01
DAV: 7 -0.907516032632E+02 0.80321E+00 -0.16442E+00 712 0.627E+00 0.474E+00
DAV: 8 -0.903858861047E+02 0.36572E+00 -0.54404E-01 688 0.404E+00 0.165E+00
DAV: 9 -0.902999014824E+02 0.85985E-01 -0.12921E-01 709 0.159E+00 0.430E-01
DAV: 10 -0.902901968288E+02 0.97047E-02 -0.31931E-02 736 0.880E-01 0.277E-01
DAV: 11 -0.902946407738E+02 -0.44439E-02 -0.12087E-02 605 0.636E-01 0.180E-01
DAV: 12 -0.902957898005E+02 -0.11490E-02 -0.26475E-03 696 0.335E-01 0.955E-02
DAV: 13 -0.903006678216E+02 -0.48780E-02 -0.39043E-03 646 0.370E-01 0.926E-02
DAV: 14 -0.903019949881E+02 -0.13272E-02 -0.55548E-04 864 0.211E-01 0.501E-02
DAV: 15 -0.903048050705E+02 -0.28101E-02 -0.93322E-04 639 0.178E-01 0.343E-02
DAV: 16 -0.903065013567E+02 -0.16963E-02 -0.15822E-04 680 0.816E-02 0.247E-02
DAV: 17 -0.903075285721E+02 -0.10272E-02 -0.21407E-04 736 0.827E-02 0.129E-02
DAV: 18 -0.903079895022E+02 -0.46093E-03 -0.46169E-05 594 0.389E-02 0.932E-03
DAV: 19 -0.903081099816E+02 -0.12048E-03 -0.14882E-05 488 0.208E-02 0.545E-03
DAV: 20 -0.903081773016E+02 -0.67320E-04 -0.11637E-05 431 0.184E-02 0.242E-03
DAV: 21 -0.903082033768E+02 -0.26075E-04 -0.42578E-06 469 0.951E-03 0.251E-03
DAV: 22 -0.903082116845E+02 -0.83078E-05 -0.14762E-06 437 0.748E-03
1 F= -.90308212E+02 E0= -.90314015E+02 d E =0.174103E-01