./iterations/neb0_image09_iter268_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 0.374152755553E+03 0.37415E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.331254551085E+01 -0.37084E+03 -0.35818E+03 869 0.196E+02
DAV: 3 -0.968570382870E+02 -0.10017E+03 -0.99845E+02 669 0.117E+02
DAV: 4 -0.101291547016E+03 -0.44345E+01 -0.44242E+01 720 0.283E+01
DAV: 5 -0.101377644075E+03 -0.86097E-01 -0.86061E-01 728 0.358E+00 0.227E+01
DAV: 6 -0.926826168484E+02 0.86950E+01 -0.31048E+01 728 0.301E+01 0.119E+01
DAV: 7 -0.918114771399E+02 0.87114E+00 -0.17244E+00 720 0.613E+00 0.480E+00
DAV: 8 -0.914355036003E+02 0.37597E+00 -0.54232E-01 712 0.394E+00 0.163E+00
DAV: 9 -0.913546346097E+02 0.80869E-01 -0.13251E-01 712 0.155E+00 0.422E-01
DAV: 10 -0.913465024374E+02 0.81322E-02 -0.44998E-02 768 0.109E+00 0.303E-01
DAV: 11 -0.913510046535E+02 -0.45022E-02 -0.12751E-02 608 0.590E-01 0.137E-01
DAV: 12 -0.913541158228E+02 -0.31112E-02 -0.28843E-03 623 0.236E-01 0.112E-01
DAV: 13 -0.913576761206E+02 -0.35603E-02 -0.16749E-03 725 0.220E-01 0.417E-02
DAV: 14 -0.913610182610E+02 -0.33421E-02 -0.55401E-04 656 0.127E-01 0.320E-02
DAV: 15 -0.913623968334E+02 -0.13786E-02 -0.13167E-04 704 0.736E-02 0.311E-02
DAV: 16 -0.913637003307E+02 -0.13035E-02 -0.32671E-04 645 0.900E-02 0.209E-02
DAV: 17 -0.913639137717E+02 -0.21344E-03 -0.49072E-05 688 0.534E-02 0.119E-02
DAV: 18 -0.913641864202E+02 -0.27265E-03 -0.48898E-05 554 0.311E-02 0.945E-03
DAV: 19 -0.913642602719E+02 -0.73852E-04 -0.72926E-06 488 0.163E-02 0.476E-03
DAV: 20 -0.913642943099E+02 -0.34038E-04 -0.14688E-05 432 0.239E-02 0.400E-03
DAV: 21 -0.913643051553E+02 -0.10845E-04 -0.26273E-06 504 0.987E-03 0.332E-03
DAV: 22 -0.913643104917E+02 -0.53364E-05 -0.22895E-06 410 0.970E-03
1 F= -.91364310E+02 E0= -.91369148E+02 d E =0.145117E-01