iterations/neb0_image06_iter92_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 0.375212104605E+03 0.37521E+03 -0.14307E+04 632 0.799E+02
DAV: 2 0.359814604746E+01 -0.37161E+03 -0.35948E+03 877 0.195E+02
DAV: 3 -0.955938825474E+02 -0.99192E+02 -0.98868E+02 656 0.117E+02
DAV: 4 -0.100166314575E+03 -0.45724E+01 -0.45616E+01 696 0.289E+01
DAV: 5 -0.100260414545E+03 -0.94100E-01 -0.94058E-01 744 0.368E+00 0.226E+01
DAV: 6 -0.916408471220E+02 0.86196E+01 -0.30957E+01 714 0.307E+01 0.118E+01
DAV: 7 -0.908192439925E+02 0.82160E+00 -0.17311E+00 720 0.630E+00 0.480E+00
DAV: 8 -0.904408614949E+02 0.37838E+00 -0.51769E-01 720 0.400E+00 0.168E+00
DAV: 9 -0.903481508378E+02 0.92711E-01 -0.13425E-01 720 0.165E+00 0.421E-01
DAV: 10 -0.903386784098E+02 0.94724E-02 -0.41029E-02 736 0.104E+00 0.299E-01
DAV: 11 -0.903432051550E+02 -0.45267E-02 -0.12569E-02 624 0.665E-01 0.164E-01
DAV: 12 -0.903448462443E+02 -0.16411E-02 -0.22620E-03 658 0.268E-01 0.117E-01
DAV: 13 -0.903495231616E+02 -0.46769E-02 -0.31178E-03 651 0.366E-01 0.768E-02
DAV: 14 -0.903511574961E+02 -0.16343E-02 -0.44662E-04 760 0.141E-01 0.536E-02
DAV: 15 -0.903541110148E+02 -0.29535E-02 -0.89857E-04 658 0.172E-01 0.370E-02
DAV: 16 -0.903556509813E+02 -0.15400E-02 -0.20559E-04 693 0.839E-02 0.270E-02
DAV: 17 -0.903562228132E+02 -0.57183E-03 -0.12144E-04 776 0.717E-02 0.145E-02
DAV: 18 -0.903569796224E+02 -0.75681E-03 -0.15344E-04 628 0.776E-02 0.150E-02
DAV: 19 -0.903571199869E+02 -0.14036E-03 -0.20387E-05 493 0.358E-02 0.112E-02
DAV: 20 -0.903572030959E+02 -0.83109E-04 -0.42471E-05 592 0.392E-02 0.592E-03
DAV: 21 -0.903572619402E+02 -0.58844E-04 -0.68007E-06 452 0.177E-02 0.459E-03
DAV: 22 -0.903572933268E+02 -0.31387E-04 -0.42249E-06 428 0.104E-02 0.271E-03
DAV: 23 -0.903573013636E+02 -0.80368E-05 -0.35095E-06 482 0.107E-02
1 F= -.90357301E+02 E0= -.90364150E+02 d E =0.205456E-01