iterations/neb0_image07_iter244_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 0.372115984895E+03 0.37212E+03 -0.14328E+04 632 0.799E+02
DAV: 2 0.390029619594E+01 -0.36822E+03 -0.35637E+03 866 0.194E+02
DAV: 3 -0.966798095347E+02 -0.10058E+03 -0.10023E+03 696 0.116E+02
DAV: 4 -0.101191040357E+03 -0.45112E+01 -0.45001E+01 688 0.280E+01
DAV: 5 -0.101279744799E+03 -0.88704E-01 -0.88653E-01 736 0.355E+00 0.228E+01
DAV: 6 -0.926100315881E+02 0.86697E+01 -0.30801E+01 725 0.300E+01 0.119E+01
DAV: 7 -0.917441362175E+02 0.86590E+00 -0.17376E+00 728 0.620E+00 0.481E+00
DAV: 8 -0.913681723935E+02 0.37596E+00 -0.54084E-01 736 0.396E+00 0.162E+00
DAV: 9 -0.912862415075E+02 0.81931E-01 -0.13090E-01 720 0.155E+00 0.421E-01
DAV: 10 -0.912771164402E+02 0.91251E-02 -0.40631E-02 752 0.103E+00 0.290E-01
DAV: 11 -0.912816222946E+02 -0.45059E-02 -0.12648E-02 608 0.588E-01 0.152E-01
DAV: 12 -0.912845469642E+02 -0.29247E-02 -0.26646E-03 621 0.262E-01 0.867E-02
DAV: 13 -0.912883482005E+02 -0.38012E-02 -0.16257E-03 639 0.194E-01 0.528E-02
DAV: 14 -0.912912887380E+02 -0.29405E-02 -0.84318E-04 741 0.220E-01 0.454E-02
DAV: 15 -0.912931400719E+02 -0.18513E-02 -0.43014E-04 648 0.109E-01 0.368E-02
DAV: 16 -0.912939523257E+02 -0.81225E-03 -0.16792E-04 768 0.832E-02 0.137E-02
DAV: 17 -0.912948618719E+02 -0.90955E-03 -0.17606E-04 701 0.719E-02 0.191E-02
DAV: 18 -0.912950641273E+02 -0.20226E-03 -0.21912E-05 552 0.322E-02 0.111E-02
DAV: 19 -0.912951988669E+02 -0.13474E-03 -0.37865E-05 623 0.316E-02 0.362E-03
DAV: 20 -0.912952317884E+02 -0.32922E-04 -0.24087E-06 512 0.944E-03 0.257E-03
DAV: 21 -0.912952491344E+02 -0.17346E-04 -0.15909E-06 421 0.498E-03 0.181E-03
DAV: 22 -0.912952574243E+02 -0.82899E-05 -0.83166E-07 450 0.399E-03
1 F= -.91295257E+02 E0= -.91301008E+02 d E =0.172508E-01