iterations/neb0_image05_iter88_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 0.373455145469E+03 0.37346E+03 -0.14308E+04 632 0.799E+02
DAV: 2 0.343090796941E+01 -0.37002E+03 -0.35769E+03 885 0.195E+02
DAV: 3 -0.941573951828E+02 -0.97588E+02 -0.97244E+02 637 0.116E+02
DAV: 4 -0.987136480178E+02 -0.45563E+01 -0.45452E+01 704 0.296E+01
DAV: 5 -0.988127803328E+02 -0.99132E-01 -0.99090E-01 728 0.386E+00 0.218E+01
DAV: 6 -0.905113086249E+02 0.83015E+01 -0.28660E+01 698 0.288E+01 0.112E+01
DAV: 7 -0.896391934988E+02 0.87212E+00 -0.18011E+00 720 0.678E+00 0.468E+00
DAV: 8 -0.892492563235E+02 0.38994E+00 -0.62377E-01 712 0.450E+00 0.155E+00
DAV: 9 -0.891663221300E+02 0.82934E-01 -0.12279E-01 728 0.164E+00 0.446E-01
DAV: 10 -0.891541323736E+02 0.12190E-01 -0.49705E-02 720 0.121E+00 0.338E-01
DAV: 11 -0.891554992845E+02 -0.13669E-02 -0.10070E-02 637 0.577E-01 0.117E-01
DAV: 12 -0.891577793693E+02 -0.22801E-02 -0.35686E-03 680 0.316E-01 0.125E-01
DAV: 13 -0.891634569060E+02 -0.56775E-02 -0.20864E-03 802 0.329E-01 0.674E-02
DAV: 14 -0.891659549605E+02 -0.24981E-02 -0.79964E-04 658 0.134E-01 0.504E-02
DAV: 15 -0.891687841392E+02 -0.28292E-02 -0.66564E-04 765 0.149E-01 0.325E-02
DAV: 16 -0.891699316096E+02 -0.11475E-02 -0.12175E-04 688 0.567E-02 0.230E-02
DAV: 17 -0.891710700980E+02 -0.11385E-02 -0.16103E-04 641 0.597E-02 0.110E-02
DAV: 18 -0.891715027715E+02 -0.43267E-03 -0.55828E-05 656 0.340E-02 0.899E-03
DAV: 19 -0.891715936029E+02 -0.90831E-04 -0.93072E-06 504 0.226E-02 0.401E-03
DAV: 20 -0.891717032419E+02 -0.10964E-03 -0.26168E-05 478 0.254E-02 0.703E-03
DAV: 21 -0.891717197679E+02 -0.16526E-04 -0.31491E-06 488 0.126E-02 0.421E-03
DAV: 22 -0.891717264405E+02 -0.66726E-05 -0.60171E-06 437 0.143E-02
1 F= -.89171726E+02 E0= -.89175790E+02 d E =0.121910E-01