iterations/neb0_image09_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 0.374050960411E+03 0.37405E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.327753664476E+01 -0.37077E+03 -0.35813E+03 869 0.196E+02
DAV: 3 -0.967312861136E+02 -0.10001E+03 -0.99679E+02 661 0.117E+02
DAV: 4 -0.101264458477E+03 -0.45332E+01 -0.45226E+01 720 0.287E+01
DAV: 5 -0.101353280002E+03 -0.88822E-01 -0.88781E-01 720 0.365E+00 0.227E+01
DAV: 6 -0.926794696333E+02 0.86738E+01 -0.30992E+01 725 0.301E+01 0.119E+01
DAV: 7 -0.918109360676E+02 0.86853E+00 -0.17203E+00 720 0.613E+00 0.479E+00
DAV: 8 -0.914352221465E+02 0.37571E+00 -0.54389E-01 712 0.395E+00 0.163E+00
DAV: 9 -0.913541584670E+02 0.81064E-01 -0.13138E-01 712 0.155E+00 0.423E-01
DAV: 10 -0.913459632076E+02 0.81953E-02 -0.44278E-02 768 0.110E+00 0.300E-01
DAV: 11 -0.913503323510E+02 -0.43691E-02 -0.11813E-02 608 0.567E-01 0.132E-01
DAV: 12 -0.913535657609E+02 -0.32334E-02 -0.28721E-03 623 0.245E-01 0.110E-01
DAV: 13 -0.913570815241E+02 -0.35158E-02 -0.13278E-03 690 0.200E-01 0.430E-02
DAV: 14 -0.913603166588E+02 -0.32351E-02 -0.65661E-04 664 0.143E-01 0.357E-02
DAV: 15 -0.913616588949E+02 -0.13422E-02 -0.13273E-04 736 0.775E-02 0.333E-02
DAV: 16 -0.913630994729E+02 -0.14406E-02 -0.33119E-04 656 0.913E-02 0.176E-02
DAV: 17 -0.913634924280E+02 -0.39296E-03 -0.64298E-05 680 0.583E-02 0.123E-02
DAV: 18 -0.913637237744E+02 -0.23135E-03 -0.37941E-05 576 0.272E-02 0.930E-03
DAV: 19 -0.913637981819E+02 -0.74407E-04 -0.88979E-06 480 0.162E-02 0.426E-03
DAV: 20 -0.913638302098E+02 -0.32028E-04 -0.76022E-06 440 0.176E-02 0.182E-03
DAV: 21 -0.913638459511E+02 -0.15741E-04 -0.27931E-06 445 0.773E-03 0.240E-03
DAV: 22 -0.913638501515E+02 -0.42004E-05 -0.65809E-07 472 0.427E-03
1 F= -.91363850E+02 E0= -.91368675E+02 d E =0.144744E-01