iterations/neb0_image07_iter224_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 0.371094571696E+03 0.37109E+03 -0.14323E+04 632 0.799E+02
DAV: 2 0.374289976438E+01 -0.36735E+03 -0.35539E+03 869 0.194E+02
DAV: 3 -0.965843737795E+02 -0.10033E+03 -0.10003E+03 693 0.116E+02
DAV: 4 -0.101083665986E+03 -0.44993E+01 -0.44873E+01 696 0.277E+01
DAV: 5 -0.101174226676E+03 -0.90561E-01 -0.90502E-01 736 0.352E+00 0.226E+01
DAV: 6 -0.925713530951E+02 0.86029E+01 -0.30711E+01 717 0.299E+01 0.118E+01
DAV: 7 -0.917235962426E+02 0.84776E+00 -0.17353E+00 728 0.619E+00 0.480E+00
DAV: 8 -0.913497788119E+02 0.37382E+00 -0.54696E-01 728 0.398E+00 0.161E+00
DAV: 9 -0.912691097802E+02 0.80669E-01 -0.13015E-01 720 0.156E+00 0.420E-01
DAV: 10 -0.912604125494E+02 0.86972E-02 -0.39482E-02 760 0.102E+00 0.284E-01
DAV: 11 -0.912647745930E+02 -0.43620E-02 -0.11008E-02 616 0.548E-01 0.141E-01
DAV: 12 -0.912678034372E+02 -0.30288E-02 -0.25145E-03 624 0.262E-01 0.862E-02
DAV: 13 -0.912715768223E+02 -0.37734E-02 -0.13820E-03 639 0.176E-01 0.550E-02
DAV: 14 -0.912747599350E+02 -0.31831E-02 -0.97612E-04 794 0.239E-01 0.498E-02
DAV: 15 -0.912761585941E+02 -0.13987E-02 -0.37961E-04 672 0.115E-01 0.376E-02
DAV: 16 -0.912771984058E+02 -0.10398E-02 -0.20503E-04 760 0.802E-02 0.148E-02
DAV: 17 -0.912780324371E+02 -0.83403E-03 -0.12562E-04 704 0.573E-02 0.139E-02
DAV: 18 -0.912782943725E+02 -0.26194E-03 -0.21327E-05 544 0.244E-02 0.806E-03
DAV: 19 -0.912784143133E+02 -0.11994E-03 -0.26475E-05 552 0.270E-02 0.395E-03
DAV: 20 -0.912784393826E+02 -0.25069E-04 -0.28655E-06 488 0.116E-02 0.210E-03
DAV: 21 -0.912784510376E+02 -0.11655E-04 -0.14444E-06 440 0.585E-03 0.964E-04
DAV: 22 -0.912784615615E+02 -0.10524E-04 -0.15122E-06 431 0.541E-03 0.946E-04
DAV: 23 -0.912784619337E+02 -0.37223E-06 -0.27919E-07 520 0.290E-03
1 F= -.91278462E+02 E0= -.91283837E+02 d E =0.161239E-01