iterations/neb0_image01_iter96_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 0.366381892099E+03 0.36638E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.341327839910E+01 -0.36297E+03 -0.34961E+03 839 0.195E+02
DAV: 3 -0.957617775980E+02 -0.99175E+02 -0.98835E+02 688 0.116E+02
DAV: 4 -0.100185251007E+03 -0.44235E+01 -0.44143E+01 685 0.279E+01
DAV: 5 -0.100273124317E+03 -0.87873E-01 -0.87820E-01 744 0.350E+00 0.222E+01
DAV: 6 -0.916776101314E+02 0.85955E+01 -0.31095E+01 693 0.299E+01 0.117E+01
DAV: 7 -0.908665810660E+02 0.81103E+00 -0.18151E+00 720 0.636E+00 0.484E+00
DAV: 8 -0.904867573418E+02 0.37982E+00 -0.55926E-01 712 0.428E+00 0.167E+00
DAV: 9 -0.904025065959E+02 0.84251E-01 -0.13545E-01 704 0.164E+00 0.428E-01
DAV: 10 -0.903971727483E+02 0.53338E-02 -0.45263E-02 720 0.124E+00 0.315E-01
DAV: 11 -0.904010354387E+02 -0.38627E-02 -0.66615E-03 616 0.475E-01 0.143E-01
DAV: 12 -0.904045681238E+02 -0.35327E-02 -0.68638E-03 613 0.484E-01 0.126E-01
DAV: 13 -0.904072756699E+02 -0.27075E-02 -0.13250E-03 832 0.302E-01 0.766E-02
DAV: 14 -0.904102216368E+02 -0.29460E-02 -0.14930E-03 626 0.184E-01 0.585E-02
DAV: 15 -0.904123472396E+02 -0.21256E-02 -0.40762E-04 696 0.127E-01 0.451E-02
DAV: 16 -0.904135843137E+02 -0.12371E-02 -0.68396E-04 653 0.151E-01 0.341E-02
DAV: 17 -0.904144599918E+02 -0.87568E-03 -0.19720E-04 861 0.980E-02 0.195E-02
DAV: 18 -0.904146013044E+02 -0.14131E-03 -0.34720E-05 696 0.308E-02 0.143E-02
DAV: 19 -0.904148617132E+02 -0.26041E-03 -0.62777E-05 633 0.413E-02 0.524E-03
DAV: 20 -0.904148879311E+02 -0.26218E-04 -0.49690E-06 480 0.129E-02 0.559E-03
DAV: 21 -0.904149289520E+02 -0.41021E-04 -0.52679E-06 403 0.135E-02 0.338E-03
DAV: 22 -0.904149461892E+02 -0.17237E-04 -0.39107E-06 477 0.984E-03 0.243E-03
DAV: 23 -0.904149489766E+02 -0.27875E-05 -0.14282E-06 520 0.676E-03
1 F= -.90414949E+02 E0= -.90420103E+02 d E =0.154620E-01