iterations/neb0_image08_iter1_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 0.370724851156E+03 0.37072E+03 -0.14249E+04 624 0.799E+02
DAV: 2 0.554572121461E+01 -0.36518E+03 -0.35284E+03 864 0.194E+02
DAV: 3 -0.939534678209E+02 -0.99499E+02 -0.99061E+02 664 0.116E+02
DAV: 4 -0.985944767260E+02 -0.46410E+01 -0.46298E+01 688 0.289E+01
DAV: 5 -0.986851265109E+02 -0.90650E-01 -0.90615E-01 712 0.367E+00 0.228E+01
DAV: 6 -0.897504053400E+02 0.89347E+01 -0.31711E+01 703 0.309E+01 0.120E+01
DAV: 7 -0.888924685715E+02 0.85794E+00 -0.16498E+00 720 0.668E+00 0.498E+00
DAV: 8 -0.884974676678E+02 0.39500E+00 -0.65892E-01 704 0.457E+00 0.170E+00
DAV: 9 -0.884074241642E+02 0.90044E-01 -0.13919E-01 752 0.189E+00 0.520E-01
DAV: 10 -0.883951890742E+02 0.12235E-01 -0.21611E-02 752 0.783E-01 0.284E-01
DAV: 11 -0.883951286677E+02 0.60406E-04 -0.97373E-03 653 0.624E-01 0.162E-01
DAV: 12 -0.883979478681E+02 -0.28192E-02 -0.51193E-03 676 0.495E-01 0.111E-01
DAV: 13 -0.884020187884E+02 -0.40709E-02 -0.20500E-03 633 0.248E-01 0.919E-02
DAV: 14 -0.884058122032E+02 -0.37934E-02 -0.16700E-03 639 0.210E-01 0.481E-02
DAV: 15 -0.884077779600E+02 -0.19658E-02 -0.32253E-04 736 0.117E-01 0.310E-02
DAV: 16 -0.884097405448E+02 -0.19626E-02 -0.29904E-04 665 0.881E-02 0.193E-02
DAV: 17 -0.884107730713E+02 -0.10325E-02 -0.10907E-04 738 0.579E-02 0.123E-02
DAV: 18 -0.884111746964E+02 -0.40163E-03 -0.68913E-05 728 0.516E-02 0.982E-03
DAV: 19 -0.884113316833E+02 -0.15699E-03 -0.15843E-05 485 0.256E-02 0.682E-03
DAV: 20 -0.884114091829E+02 -0.77500E-04 -0.18816E-05 498 0.234E-02 0.426E-03
DAV: 21 -0.884114510699E+02 -0.41887E-04 -0.45280E-06 477 0.133E-02 0.169E-03
DAV: 22 -0.884114668247E+02 -0.15755E-04 -0.35206E-06 415 0.863E-03 0.170E-03
DAV: 23 -0.884114704016E+02 -0.35769E-05 -0.67975E-07 504 0.421E-03
1 F= -.88411470E+02 E0= -.88415336E+02 d E =0.115977E-01