./iterations/neb0_image02_iter209_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 0.363818004654E+03 0.36382E+03 -0.14334E+04 632 0.799E+02
DAV: 2 0.703926843908E+00 -0.36311E+03 -0.35254E+03 869 0.195E+02
DAV: 3 -0.956818638651E+02 -0.96386E+02 -0.96055E+02 640 0.115E+02
DAV: 4 -0.100256319976E+03 -0.45745E+01 -0.45635E+01 712 0.291E+01
DAV: 5 -0.100346690451E+03 -0.90370E-01 -0.90332E-01 744 0.367E+00 0.222E+01
DAV: 6 -0.916638304923E+02 0.86829E+01 -0.31001E+01 672 0.300E+01 0.117E+01
DAV: 7 -0.908474650430E+02 0.81637E+00 -0.18517E+00 720 0.636E+00 0.484E+00
DAV: 8 -0.904672418158E+02 0.38022E+00 -0.54579E-01 696 0.429E+00 0.170E+00
DAV: 9 -0.903803781771E+02 0.86864E-01 -0.13843E-01 712 0.169E+00 0.427E-01
DAV: 10 -0.903752856428E+02 0.50925E-02 -0.49475E-02 712 0.126E+00 0.330E-01
DAV: 11 -0.903791682269E+02 -0.38826E-02 -0.85686E-03 616 0.619E-01 0.117E-01
DAV: 12 -0.903820438657E+02 -0.28756E-02 -0.63754E-03 648 0.396E-01 0.134E-01
DAV: 13 -0.903845972713E+02 -0.25534E-02 -0.18933E-03 864 0.337E-01 0.818E-02
DAV: 14 -0.903878913532E+02 -0.32941E-02 -0.14065E-03 621 0.175E-01 0.716E-02
DAV: 15 -0.903896256288E+02 -0.17343E-02 -0.29202E-04 704 0.105E-01 0.528E-02
DAV: 16 -0.903911380742E+02 -0.15124E-02 -0.11260E-03 680 0.197E-01 0.428E-02
DAV: 17 -0.903917872296E+02 -0.64916E-03 -0.17409E-04 760 0.917E-02 0.268E-02
DAV: 18 -0.903920635578E+02 -0.27633E-03 -0.67530E-05 680 0.394E-02 0.124E-02
DAV: 19 -0.903922555104E+02 -0.19195E-03 -0.57378E-05 647 0.414E-02 0.751E-03
DAV: 20 -0.903922774688E+02 -0.21958E-04 -0.58087E-06 520 0.162E-02 0.645E-03
DAV: 21 -0.903923319862E+02 -0.54517E-04 -0.12246E-05 425 0.199E-02 0.353E-03
DAV: 22 -0.903923420813E+02 -0.10095E-04 -0.44788E-06 488 0.123E-02 0.281E-03
DAV: 23 -0.903923438690E+02 -0.17876E-05 -0.17757E-06 528 0.784E-03
1 F= -.90392344E+02 E0= -.90398980E+02 d E =0.199082E-01