iterations/neb0_image08_iter73_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 0.376734868007E+03 0.37673E+03 -0.14285E+04 624 0.799E+02
DAV: 2 0.386280276108E+01 -0.37287E+03 -0.35931E+03 869 0.196E+02
DAV: 3 -0.968494273683E+02 -0.10071E+03 -0.10038E+03 696 0.117E+02
DAV: 4 -0.101148205322E+03 -0.42988E+01 -0.42890E+01 696 0.272E+01
DAV: 5 -0.101232130269E+03 -0.83925E-01 -0.83889E-01 736 0.340E+00 0.228E+01
DAV: 6 -0.925807019194E+02 0.86514E+01 -0.30823E+01 701 0.302E+01 0.119E+01
DAV: 7 -0.917075789374E+02 0.87312E+00 -0.17004E+00 728 0.615E+00 0.481E+00
DAV: 8 -0.913267591447E+02 0.38082E+00 -0.55465E-01 704 0.402E+00 0.163E+00
DAV: 9 -0.912427537256E+02 0.84005E-01 -0.13081E-01 712 0.155E+00 0.426E-01
DAV: 10 -0.912332910827E+02 0.94626E-02 -0.48216E-02 720 0.114E+00 0.311E-01
DAV: 11 -0.912381105846E+02 -0.48195E-02 -0.14980E-02 616 0.634E-01 0.162E-01
DAV: 12 -0.912409815986E+02 -0.28710E-02 -0.32373E-03 626 0.249E-01 0.132E-01
DAV: 13 -0.912448828574E+02 -0.39013E-02 -0.23816E-03 685 0.278E-01 0.489E-02
DAV: 14 -0.912479332723E+02 -0.30504E-02 -0.50262E-04 664 0.116E-01 0.366E-02
DAV: 15 -0.912500972430E+02 -0.21640E-02 -0.19038E-04 653 0.601E-02 0.344E-02
DAV: 16 -0.912511334162E+02 -0.10362E-02 -0.30898E-04 666 0.866E-02 0.195E-02
DAV: 17 -0.912514567664E+02 -0.32335E-03 -0.35204E-05 637 0.380E-02 0.141E-02
DAV: 18 -0.912517146364E+02 -0.25787E-03 -0.54265E-05 631 0.333E-02 0.830E-03
DAV: 19 -0.912517434963E+02 -0.28860E-04 -0.54220E-06 520 0.195E-02 0.395E-03
DAV: 20 -0.912517823934E+02 -0.38897E-04 -0.13705E-05 398 0.223E-02 0.531E-03
DAV: 21 -0.912517995538E+02 -0.17160E-04 -0.27258E-06 472 0.103E-02 0.382E-03
DAV: 22 -0.912518041625E+02 -0.46087E-05 -0.38727E-06 450 0.126E-02
1 F= -.91251804E+02 E0= -.91256832E+02 d E =0.150842E-01