iterations/neb0_image09_iter116_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 0.374762855117E+03 0.37476E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.249233028886E+01 -0.37227E+03 -0.35992E+03 877 0.196E+02
DAV: 3 -0.967138766494E+02 -0.99206E+02 -0.98871E+02 656 0.117E+02
DAV: 4 -0.101249772748E+03 -0.45359E+01 -0.45264E+01 704 0.289E+01
DAV: 5 -0.101339027961E+03 -0.89255E-01 -0.89216E-01 736 0.367E+00 0.227E+01
DAV: 6 -0.926731700693E+02 0.86659E+01 -0.30885E+01 701 0.302E+01 0.119E+01
DAV: 7 -0.918042233247E+02 0.86895E+00 -0.17124E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.914275632891E+02 0.37666E+00 -0.54181E-01 712 0.395E+00 0.164E+00
DAV: 9 -0.913447327633E+02 0.82831E-01 -0.13149E-01 712 0.155E+00 0.424E-01
DAV: 10 -0.913358743174E+02 0.88584E-02 -0.45961E-02 784 0.112E+00 0.305E-01
DAV: 11 -0.913402874374E+02 -0.44131E-02 -0.13023E-02 616 0.596E-01 0.142E-01
DAV: 12 -0.913432455108E+02 -0.29581E-02 -0.29720E-03 623 0.244E-01 0.113E-01
DAV: 13 -0.913470832816E+02 -0.38378E-02 -0.15218E-03 704 0.213E-01 0.436E-02
DAV: 14 -0.913504467163E+02 -0.33634E-02 -0.59645E-04 661 0.132E-01 0.353E-02
DAV: 15 -0.913518808079E+02 -0.14341E-02 -0.13409E-04 736 0.734E-02 0.331E-02
DAV: 16 -0.913532590405E+02 -0.13782E-02 -0.33427E-04 644 0.895E-02 0.187E-02
DAV: 17 -0.913535894469E+02 -0.33041E-03 -0.60189E-05 688 0.558E-02 0.116E-02
DAV: 18 -0.913538304237E+02 -0.24098E-03 -0.38530E-05 556 0.261E-02 0.106E-02
DAV: 19 -0.913538920273E+02 -0.61604E-04 -0.88596E-06 488 0.183E-02 0.457E-03
DAV: 20 -0.913539220451E+02 -0.30018E-04 -0.11031E-05 445 0.211E-02 0.319E-03
DAV: 21 -0.913539365328E+02 -0.14488E-04 -0.24552E-06 448 0.895E-03 0.279E-03
DAV: 22 -0.913539433324E+02 -0.67997E-05 -0.17977E-06 434 0.836E-03
1 F= -.91353943E+02 E0= -.91358721E+02 d E =0.143322E-01