iterations/neb0_image04_iter17_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 0.360908350189E+03 0.36091E+03 -0.14256E+04 632 0.799E+02
DAV: 2 0.504758235374E+01 -0.35586E+03 -0.34353E+03 842 0.193E+02
DAV: 3 -0.932479424473E+02 -0.98296E+02 -0.97845E+02 672 0.115E+02
DAV: 4 -0.979563475918E+02 -0.47084E+01 -0.46937E+01 712 0.286E+01
DAV: 5 -0.980588349382E+02 -0.10249E+00 -0.10244E+00 720 0.370E+00 0.214E+01
DAV: 6 -0.897093110788E+02 0.83495E+01 -0.30825E+01 696 0.297E+01 0.110E+01
DAV: 7 -0.889711795601E+02 0.73813E+00 -0.16719E+00 728 0.657E+00 0.473E+00
DAV: 8 -0.886024763828E+02 0.36870E+00 -0.60640E-01 720 0.447E+00 0.171E+00
DAV: 9 -0.885133124697E+02 0.89164E-01 -0.13760E-01 720 0.178E+00 0.455E-01
DAV: 10 -0.885047327669E+02 0.85797E-02 -0.32221E-02 712 0.926E-01 0.317E-01
DAV: 11 -0.885079076706E+02 -0.31749E-02 -0.10384E-02 608 0.615E-01 0.143E-01
DAV: 12 -0.885093392644E+02 -0.14316E-02 -0.25193E-03 666 0.279E-01 0.120E-01
DAV: 13 -0.885136602502E+02 -0.43210E-02 -0.45170E-03 617 0.453E-01 0.109E-01
DAV: 14 -0.885152638783E+02 -0.16036E-02 -0.10893E-03 752 0.202E-01 0.860E-02
DAV: 15 -0.885173923011E+02 -0.21284E-02 -0.15719E-03 663 0.254E-01 0.421E-02
DAV: 16 -0.885192904997E+02 -0.18982E-02 -0.28917E-04 682 0.106E-01 0.349E-02
DAV: 17 -0.885203711660E+02 -0.10807E-02 -0.25152E-04 741 0.891E-02 0.130E-02
DAV: 18 -0.885209728063E+02 -0.60164E-03 -0.65001E-05 669 0.410E-02 0.907E-03
DAV: 19 -0.885212786882E+02 -0.30588E-03 -0.25641E-05 597 0.231E-02 0.505E-03
DAV: 20 -0.885213981675E+02 -0.11948E-03 -0.11679E-05 469 0.148E-02 0.238E-03
DAV: 21 -0.885214466341E+02 -0.48467E-04 -0.57893E-06 466 0.105E-02 0.112E-03
DAV: 22 -0.885214647418E+02 -0.18108E-04 -0.26467E-06 464 0.559E-03 0.114E-03
DAV: 23 -0.885214704044E+02 -0.56627E-05 -0.11842E-06 480 0.541E-03
1 F= -.88521470E+02 E0= -.88530903E+02 d E =0.282968E-01