./iterations/neb0_image03_iter79_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 0.367506993133E+03 0.36751E+03 -0.14322E+04 632 0.799E+02
DAV: 2 0.289553697286E+01 -0.36461E+03 -0.35207E+03 853 0.195E+02
DAV: 3 -0.956072662287E+02 -0.98503E+02 -0.98184E+02 661 0.116E+02
DAV: 4 -0.100141956054E+03 -0.45347E+01 -0.45252E+01 720 0.287E+01
DAV: 5 -0.100230352654E+03 -0.88397E-01 -0.88361E-01 736 0.360E+00 0.222E+01
DAV: 6 -0.916314552778E+02 0.85989E+01 -0.30704E+01 685 0.296E+01 0.116E+01
DAV: 7 -0.907836510619E+02 0.84780E+00 -0.18414E+00 704 0.640E+00 0.483E+00
DAV: 8 -0.903781479518E+02 0.40550E+00 -0.57284E-01 696 0.433E+00 0.165E+00
DAV: 9 -0.902827359171E+02 0.95412E-01 -0.13904E-01 704 0.174E+00 0.438E-01
DAV: 10 -0.902746940132E+02 0.80419E-02 -0.49446E-02 712 0.119E+00 0.338E-01
DAV: 11 -0.902784431893E+02 -0.37492E-02 -0.78930E-03 605 0.573E-01 0.116E-01
DAV: 12 -0.902811272311E+02 -0.26840E-02 -0.50233E-03 639 0.317E-01 0.124E-01
DAV: 13 -0.902851943760E+02 -0.40671E-02 -0.19752E-03 824 0.365E-01 0.846E-02
DAV: 14 -0.902881915752E+02 -0.29972E-02 -0.98546E-04 672 0.146E-01 0.631E-02
DAV: 15 -0.902906226118E+02 -0.24310E-02 -0.58022E-04 664 0.144E-01 0.278E-02
DAV: 16 -0.902924627627E+02 -0.18402E-02 -0.36088E-04 666 0.103E-01 0.277E-02
DAV: 17 -0.902931364356E+02 -0.67367E-03 -0.87147E-05 680 0.531E-02 0.179E-02
DAV: 18 -0.902934921495E+02 -0.35571E-03 -0.93859E-05 656 0.529E-02 0.105E-02
DAV: 19 -0.902935884261E+02 -0.96277E-04 -0.10941E-05 480 0.225E-02 0.611E-03
DAV: 20 -0.902936686826E+02 -0.80256E-04 -0.16824E-05 428 0.243E-02 0.404E-03
DAV: 21 -0.902937120172E+02 -0.43335E-04 -0.68950E-06 456 0.134E-02 0.291E-03
DAV: 22 -0.902937194251E+02 -0.74079E-05 -0.22657E-06 528 0.882E-03
1 F= -.90293719E+02 E0= -.90301950E+02 d E =0.246912E-01