iterations/neb0_image03_iter82_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 0.367513181280E+03 0.36751E+03 -0.14323E+04 632 0.799E+02
DAV: 2 0.289456501883E+01 -0.36462E+03 -0.35209E+03 853 0.195E+02
DAV: 3 -0.956183228760E+02 -0.98513E+02 -0.98194E+02 661 0.116E+02
DAV: 4 -0.100152090949E+03 -0.45338E+01 -0.45242E+01 720 0.287E+01
DAV: 5 -0.100240328206E+03 -0.88237E-01 -0.88202E-01 736 0.360E+00 0.222E+01
DAV: 6 -0.916300637623E+02 0.86103E+01 -0.30756E+01 688 0.297E+01 0.116E+01
DAV: 7 -0.907851722823E+02 0.84489E+00 -0.18516E+00 704 0.640E+00 0.483E+00
DAV: 8 -0.903799173378E+02 0.40525E+00 -0.56890E-01 688 0.431E+00 0.165E+00
DAV: 9 -0.902838601341E+02 0.96057E-01 -0.14035E-01 704 0.174E+00 0.436E-01
DAV: 10 -0.902757276528E+02 0.81325E-02 -0.51237E-02 712 0.122E+00 0.339E-01
DAV: 11 -0.902796374070E+02 -0.39098E-02 -0.85085E-03 605 0.578E-01 0.119E-01
DAV: 12 -0.902824930463E+02 -0.28556E-02 -0.55503E-03 639 0.339E-01 0.131E-01
DAV: 13 -0.902860067197E+02 -0.35137E-02 -0.20031E-03 832 0.368E-01 0.813E-02
DAV: 14 -0.902893608371E+02 -0.33541E-02 -0.12006E-03 642 0.163E-01 0.647E-02
DAV: 15 -0.902915566662E+02 -0.21958E-02 -0.35469E-04 712 0.110E-01 0.342E-02
DAV: 16 -0.902935417376E+02 -0.19851E-02 -0.66532E-04 666 0.147E-01 0.377E-02
DAV: 17 -0.902941723221E+02 -0.63058E-03 -0.15326E-04 744 0.762E-02 0.232E-02
DAV: 18 -0.902944778481E+02 -0.30553E-03 -0.10354E-04 648 0.600E-02 0.942E-03
DAV: 19 -0.902946596442E+02 -0.18180E-03 -0.17472E-05 463 0.251E-02 0.679E-03
DAV: 20 -0.902947419329E+02 -0.82289E-04 -0.18286E-05 466 0.237E-02 0.597E-03
DAV: 21 -0.902947863460E+02 -0.44413E-04 -0.83690E-06 440 0.175E-02 0.365E-03
DAV: 22 -0.902947983680E+02 -0.12022E-04 -0.49849E-06 480 0.131E-02 0.247E-03
DAV: 23 -0.902948015795E+02 -0.32115E-05 -0.15530E-06 488 0.745E-03
1 F= -.90294802E+02 E0= -.90302564E+02 d E =0.232862E-01