iterations/neb0_image07_iter217_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 0.371158973331E+03 0.37116E+03 -0.14323E+04 632 0.799E+02
DAV: 2 0.368358829168E+01 -0.36748E+03 -0.35542E+03 869 0.194E+02
DAV: 3 -0.966165392691E+02 -0.10030E+03 -0.99999E+02 696 0.116E+02
DAV: 4 -0.101102982002E+03 -0.44864E+01 -0.44745E+01 704 0.276E+01
DAV: 5 -0.101192784588E+03 -0.89803E-01 -0.89743E-01 736 0.351E+00 0.226E+01
DAV: 6 -0.925839425105E+02 0.86088E+01 -0.30707E+01 725 0.299E+01 0.119E+01
DAV: 7 -0.917337233853E+02 0.85022E+00 -0.17454E+00 712 0.619E+00 0.479E+00
DAV: 8 -0.913611455424E+02 0.37258E+00 -0.53928E-01 728 0.396E+00 0.162E+00
DAV: 9 -0.912800614918E+02 0.81084E-01 -0.13054E-01 720 0.157E+00 0.420E-01
DAV: 10 -0.912714356641E+02 0.86258E-02 -0.39371E-02 736 0.103E+00 0.285E-01
DAV: 11 -0.912757150497E+02 -0.42794E-02 -0.11014E-02 616 0.549E-01 0.140E-01
DAV: 12 -0.912786250371E+02 -0.29100E-02 -0.23883E-03 624 0.263E-01 0.873E-02
DAV: 13 -0.912825123406E+02 -0.38873E-02 -0.15492E-03 642 0.192E-01 0.578E-02
DAV: 14 -0.912851187150E+02 -0.26064E-02 -0.73620E-04 829 0.219E-01 0.415E-02
DAV: 15 -0.912870018488E+02 -0.18831E-02 -0.38377E-04 653 0.108E-01 0.344E-02
DAV: 16 -0.912881471755E+02 -0.11453E-02 -0.16226E-04 744 0.705E-02 0.181E-02
DAV: 17 -0.912889842358E+02 -0.83706E-03 -0.14656E-04 728 0.622E-02 0.137E-02
DAV: 18 -0.912892628689E+02 -0.27863E-03 -0.32720E-05 632 0.352E-02 0.542E-03
DAV: 19 -0.912893748960E+02 -0.11203E-03 -0.18742E-05 472 0.211E-02 0.444E-03
DAV: 20 -0.912893997189E+02 -0.24823E-04 -0.28770E-06 496 0.995E-03 0.267E-03
DAV: 21 -0.912894180532E+02 -0.18334E-04 -0.45816E-06 429 0.138E-02 0.203E-03
DAV: 22 -0.912894270833E+02 -0.90301E-05 -0.18437E-06 442 0.994E-03
1 F= -.91289427E+02 E0= -.91294749E+02 d E =0.159671E-01