./iterations/neb0_image07_iter109_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 0.378017753615E+03 0.37802E+03 -0.14287E+04 624 0.799E+02
DAV: 2 0.344261075449E+01 -0.37458E+03 -0.36250E+03 877 0.196E+02
DAV: 3 -0.964466118111E+02 -0.99889E+02 -0.99552E+02 656 0.117E+02
DAV: 4 -0.101044134322E+03 -0.45975E+01 -0.45863E+01 696 0.290E+01
DAV: 5 -0.101135961570E+03 -0.91827E-01 -0.91790E-01 728 0.369E+00 0.229E+01
DAV: 6 -0.924506208033E+02 0.86853E+01 -0.30692E+01 693 0.303E+01 0.120E+01
DAV: 7 -0.915691491466E+02 0.88147E+00 -0.16900E+00 736 0.614E+00 0.482E+00
DAV: 8 -0.911859220408E+02 0.38323E+00 -0.55323E-01 712 0.401E+00 0.164E+00
DAV: 9 -0.911015703367E+02 0.84352E-01 -0.13407E-01 728 0.156E+00 0.425E-01
DAV: 10 -0.910923386024E+02 0.92317E-02 -0.47586E-02 733 0.113E+00 0.310E-01
DAV: 11 -0.910967451568E+02 -0.44066E-02 -0.12257E-02 616 0.582E-01 0.133E-01
DAV: 12 -0.911000633975E+02 -0.33182E-02 -0.36305E-03 616 0.277E-01 0.144E-01
DAV: 13 -0.911038442850E+02 -0.37809E-02 -0.25406E-03 725 0.312E-01 0.540E-02
DAV: 14 -0.911064455670E+02 -0.26013E-02 -0.61564E-04 656 0.114E-01 0.568E-02
DAV: 15 -0.911090976410E+02 -0.26521E-02 -0.32658E-04 637 0.907E-02 0.326E-02
DAV: 16 -0.911100364201E+02 -0.93878E-03 -0.35123E-04 688 0.928E-02 0.286E-02
DAV: 17 -0.911105249758E+02 -0.48856E-03 -0.13270E-04 640 0.746E-02 0.980E-03
DAV: 18 -0.911107006043E+02 -0.17563E-03 -0.24765E-05 568 0.282E-02 0.737E-03
DAV: 19 -0.911107788834E+02 -0.78279E-04 -0.15516E-05 472 0.230E-02 0.215E-03
DAV: 20 -0.911108158601E+02 -0.36977E-04 -0.40958E-06 461 0.101E-02 0.162E-03
DAV: 21 -0.911108308722E+02 -0.15012E-04 -0.17532E-06 437 0.528E-03 0.103E-03
DAV: 22 -0.911108374952E+02 -0.66230E-05 -0.88589E-07 430 0.334E-03
1 F= -.91110837E+02 E0= -.91115736E+02 d E =0.146970E-01