iterations/neb0_image07_iter88_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 0.376717176565E+03 0.37672E+03 -0.14276E+04 624 0.799E+02
DAV: 2 0.346156527154E+01 -0.37326E+03 -0.36120E+03 877 0.196E+02
DAV: 3 -0.964493592777E+02 -0.99911E+02 -0.99583E+02 672 0.117E+02
DAV: 4 -0.100882183108E+03 -0.44328E+01 -0.44223E+01 696 0.283E+01
DAV: 5 -0.100970343183E+03 -0.88160E-01 -0.88122E-01 728 0.358E+00 0.226E+01
DAV: 6 -0.923646468993E+02 0.86057E+01 -0.30728E+01 717 0.303E+01 0.119E+01
DAV: 7 -0.914990131105E+02 0.86563E+00 -0.16690E+00 720 0.615E+00 0.481E+00
DAV: 8 -0.911168788480E+02 0.38213E+00 -0.57008E-01 704 0.407E+00 0.163E+00
DAV: 9 -0.910326699208E+02 0.84209E-01 -0.13171E-01 720 0.155E+00 0.429E-01
DAV: 10 -0.910230584103E+02 0.96115E-02 -0.46655E-02 709 0.109E+00 0.305E-01
DAV: 11 -0.910276533893E+02 -0.45950E-02 -0.11699E-02 608 0.562E-01 0.139E-01
DAV: 12 -0.910309223796E+02 -0.32690E-02 -0.36620E-03 630 0.283E-01 0.145E-01
DAV: 13 -0.910345237852E+02 -0.36014E-02 -0.24368E-03 749 0.310E-01 0.531E-02
DAV: 14 -0.910371438016E+02 -0.26200E-02 -0.65579E-04 645 0.119E-01 0.573E-02
DAV: 15 -0.910396302956E+02 -0.24865E-02 -0.26618E-04 653 0.814E-02 0.352E-02
DAV: 16 -0.910407911352E+02 -0.11608E-02 -0.38868E-04 680 0.973E-02 0.268E-02
DAV: 17 -0.910413432158E+02 -0.55208E-03 -0.11542E-04 645 0.696E-02 0.104E-02
DAV: 18 -0.910414915440E+02 -0.14833E-03 -0.25000E-05 560 0.261E-02 0.785E-03
DAV: 19 -0.910415758663E+02 -0.84322E-04 -0.16487E-05 469 0.258E-02 0.278E-03
DAV: 20 -0.910416119048E+02 -0.36038E-04 -0.71034E-06 496 0.138E-02 0.426E-03
DAV: 21 -0.910416230807E+02 -0.11176E-04 -0.12738E-06 456 0.650E-03 0.316E-03
DAV: 22 -0.910416329626E+02 -0.98820E-05 -0.45712E-06 389 0.151E-02
1 F= -.91041633E+02 E0= -.91046758E+02 d E =0.153741E-01