iterations/neb0_image07_iter99_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 0.376917666440E+03 0.37692E+03 -0.14279E+04 624 0.799E+02
DAV: 2 0.337918584953E+01 -0.37354E+03 -0.36159E+03 877 0.196E+02
DAV: 3 -0.964000245842E+02 -0.99779E+02 -0.99448E+02 664 0.117E+02
DAV: 4 -0.100921837947E+03 -0.45218E+01 -0.45111E+01 696 0.287E+01
DAV: 5 -0.101012248936E+03 -0.90411E-01 -0.90374E-01 728 0.365E+00 0.227E+01
DAV: 6 -0.923915253079E+02 0.86207E+01 -0.30726E+01 709 0.303E+01 0.119E+01
DAV: 7 -0.915257541256E+02 0.86577E+00 -0.16707E+00 736 0.614E+00 0.481E+00
DAV: 8 -0.911447211444E+02 0.38103E+00 -0.56122E-01 704 0.404E+00 0.163E+00
DAV: 9 -0.910608106283E+02 0.83911E-01 -0.13188E-01 728 0.155E+00 0.426E-01
DAV: 10 -0.910514720798E+02 0.93385E-02 -0.47029E-02 733 0.111E+00 0.307E-01
DAV: 11 -0.910559692396E+02 -0.44972E-02 -0.11708E-02 616 0.566E-01 0.134E-01
DAV: 12 -0.910592923441E+02 -0.33231E-02 -0.37651E-03 613 0.286E-01 0.148E-01
DAV: 13 -0.910629449230E+02 -0.36526E-02 -0.26846E-03 728 0.325E-01 0.556E-02
DAV: 14 -0.910655121462E+02 -0.25672E-02 -0.65569E-04 661 0.119E-01 0.599E-02
DAV: 15 -0.910680661113E+02 -0.25540E-02 -0.30417E-04 653 0.886E-02 0.351E-02
DAV: 16 -0.910691485803E+02 -0.10825E-02 -0.42813E-04 680 0.103E-01 0.303E-02
DAV: 17 -0.910696673453E+02 -0.51876E-03 -0.12769E-04 645 0.722E-02 0.106E-02
DAV: 18 -0.910698204602E+02 -0.15311E-03 -0.25141E-05 560 0.267E-02 0.719E-03
DAV: 19 -0.910699072316E+02 -0.86771E-04 -0.16487E-05 477 0.237E-02 0.278E-03
DAV: 20 -0.910699443078E+02 -0.37076E-04 -0.56292E-06 472 0.117E-02 0.323E-03
DAV: 21 -0.910699537773E+02 -0.94695E-05 -0.13187E-06 488 0.667E-03
1 F= -.91069954E+02 E0= -.91074752E+02 d E =0.143934E-01