iterations/neb0_image06_iter117_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 0.375890359404E+03 0.37589E+03 -0.14313E+04 632 0.799E+02
DAV: 2 0.379637499702E+01 -0.37209E+03 -0.36018E+03 882 0.195E+02
DAV: 3 -0.955816624148E+02 -0.99378E+02 -0.99051E+02 648 0.116E+02
DAV: 4 -0.100329092765E+03 -0.47474E+01 -0.47348E+01 704 0.294E+01
DAV: 5 -0.100426373975E+03 -0.97281E-01 -0.97233E-01 728 0.376E+00 0.227E+01
DAV: 6 -0.918299680032E+02 0.85964E+01 -0.30681E+01 698 0.305E+01 0.118E+01
DAV: 7 -0.910067525667E+02 0.82322E+00 -0.17497E+00 720 0.630E+00 0.480E+00
DAV: 8 -0.906293039080E+02 0.37745E+00 -0.49501E-01 736 0.397E+00 0.168E+00
DAV: 9 -0.905376667186E+02 0.91637E-01 -0.14061E-01 717 0.174E+00 0.418E-01
DAV: 10 -0.905288812610E+02 0.87855E-02 -0.37921E-02 800 0.104E+00 0.295E-01
DAV: 11 -0.905333095615E+02 -0.44283E-02 -0.14808E-02 610 0.741E-01 0.184E-01
DAV: 12 -0.905343037367E+02 -0.99418E-03 -0.24502E-03 698 0.318E-01 0.119E-01
DAV: 13 -0.905393488711E+02 -0.50451E-02 -0.48725E-03 628 0.449E-01 0.957E-02
DAV: 14 -0.905405893037E+02 -0.12404E-02 -0.61486E-04 776 0.178E-01 0.760E-02
DAV: 15 -0.905430816265E+02 -0.24923E-02 -0.12490E-03 629 0.233E-01 0.281E-02
DAV: 16 -0.905452351373E+02 -0.21535E-02 -0.33036E-04 653 0.938E-02 0.303E-02
DAV: 17 -0.905462599642E+02 -0.10248E-02 -0.72850E-05 597 0.428E-02 0.193E-02
DAV: 18 -0.905469164212E+02 -0.65646E-03 -0.18829E-04 626 0.791E-02 0.152E-02
DAV: 19 -0.905470403526E+02 -0.12393E-03 -0.19307E-05 568 0.370E-02 0.938E-03
DAV: 20 -0.905471470019E+02 -0.10665E-03 -0.26812E-05 564 0.271E-02 0.371E-03
DAV: 21 -0.905471849541E+02 -0.37952E-04 -0.30739E-06 488 0.142E-02 0.241E-03
DAV: 22 -0.905472077291E+02 -0.22775E-04 -0.30544E-06 409 0.766E-03 0.223E-03
DAV: 23 -0.905472142553E+02 -0.65262E-05 -0.16971E-06 471 0.815E-03
1 F= -.90547214E+02 E0= -.90556005E+02 d E =0.263708E-01