iterations/neb0_image01_iter252_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 0.365852391240E+03 0.36585E+03 -0.14301E+04 624 0.799E+02
DAV: 2 0.330200288417E+01 -0.36255E+03 -0.34932E+03 839 0.196E+02
DAV: 3 -0.955070425218E+02 -0.98809E+02 -0.98462E+02 648 0.116E+02
DAV: 4 -0.100249065615E+03 -0.47420E+01 -0.47298E+01 696 0.297E+01
DAV: 5 -0.100342325867E+03 -0.93260E-01 -0.93217E-01 736 0.376E+00 0.222E+01
DAV: 6 -0.917031928261E+02 0.86391E+01 -0.30999E+01 685 0.300E+01 0.117E+01
DAV: 7 -0.908931247725E+02 0.81007E+00 -0.18331E+00 704 0.638E+00 0.484E+00
DAV: 8 -0.905150288600E+02 0.37810E+00 -0.55340E-01 696 0.429E+00 0.168E+00
DAV: 9 -0.904312395385E+02 0.83789E-01 -0.13477E-01 720 0.164E+00 0.425E-01
DAV: 10 -0.904265297395E+02 0.47098E-02 -0.46657E-02 728 0.125E+00 0.320E-01
DAV: 11 -0.904304095525E+02 -0.38798E-02 -0.68370E-03 608 0.517E-01 0.132E-01
DAV: 12 -0.904340413619E+02 -0.36318E-02 -0.72930E-03 637 0.489E-01 0.136E-01
DAV: 13 -0.904365240345E+02 -0.24827E-02 -0.17898E-03 877 0.327E-01 0.748E-02
DAV: 14 -0.904395741072E+02 -0.30501E-02 -0.13362E-03 642 0.176E-01 0.632E-02
DAV: 15 -0.904414432303E+02 -0.18691E-02 -0.35511E-04 680 0.110E-01 0.507E-02
DAV: 16 -0.904428994777E+02 -0.14562E-02 -0.93708E-04 666 0.184E-01 0.359E-02
DAV: 17 -0.904436421489E+02 -0.74267E-03 -0.12630E-04 672 0.767E-02 0.302E-02
DAV: 18 -0.904439412780E+02 -0.29913E-03 -0.12204E-04 656 0.582E-02 0.103E-02
DAV: 19 -0.904440839883E+02 -0.14271E-03 -0.37818E-05 629 0.314E-02 0.800E-03
DAV: 20 -0.904441183832E+02 -0.34395E-04 -0.40118E-06 488 0.145E-02 0.896E-03
DAV: 21 -0.904441540580E+02 -0.35675E-04 -0.78556E-06 420 0.198E-02 0.446E-03
DAV: 22 -0.904441597490E+02 -0.56910E-05 -0.70332E-06 496 0.144E-02
1 F= -.90444160E+02 E0= -.90449879E+02 d E =0.171591E-01