iterations/neb0_image07_iter277_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 0.375057544350E+03 0.37506E+03 -0.14286E+04 624 0.799E+02
DAV: 2 0.463814760629E+01 -0.37042E+03 -0.35919E+03 866 0.195E+02
DAV: 3 -0.964556205364E+02 -0.10109E+03 -0.10078E+03 664 0.117E+02
DAV: 4 -0.101200908706E+03 -0.47453E+01 -0.47336E+01 704 0.295E+01
DAV: 5 -0.101294181653E+03 -0.93273E-01 -0.93228E-01 728 0.374E+00 0.227E+01
DAV: 6 -0.926285506913E+02 0.86656E+01 -0.30993E+01 712 0.300E+01 0.119E+01
DAV: 7 -0.917568717369E+02 0.87168E+00 -0.17067E+00 728 0.613E+00 0.480E+00
DAV: 8 -0.913780095997E+02 0.37886E+00 -0.55120E-01 736 0.400E+00 0.161E+00
DAV: 9 -0.912956332609E+02 0.82376E-01 -0.12702E-01 736 0.152E+00 0.422E-01
DAV: 10 -0.912863105335E+02 0.93227E-02 -0.43755E-02 741 0.105E+00 0.297E-01
DAV: 11 -0.912912290528E+02 -0.49185E-02 -0.12853E-02 613 0.578E-01 0.151E-01
DAV: 12 -0.912944436873E+02 -0.32146E-02 -0.30713E-03 609 0.237E-01 0.107E-01
DAV: 13 -0.912983276130E+02 -0.38839E-02 -0.20901E-03 638 0.242E-01 0.509E-02
DAV: 14 -0.913018504228E+02 -0.35228E-02 -0.86758E-04 653 0.176E-01 0.308E-02
DAV: 15 -0.913029726598E+02 -0.11222E-02 -0.16840E-04 680 0.760E-02 0.231E-02
DAV: 16 -0.913039762087E+02 -0.10035E-02 -0.21763E-04 693 0.929E-02 0.161E-02
DAV: 17 -0.913044880373E+02 -0.51183E-03 -0.49140E-05 658 0.394E-02 0.135E-02
DAV: 18 -0.913046596105E+02 -0.17157E-03 -0.24482E-05 560 0.267E-02 0.627E-03
DAV: 19 -0.913048280078E+02 -0.16840E-03 -0.20245E-05 492 0.187E-02 0.262E-03
DAV: 20 -0.913048561541E+02 -0.28146E-04 -0.28217E-06 504 0.728E-03 0.211E-03
DAV: 21 -0.913048790182E+02 -0.22864E-04 -0.37720E-06 397 0.103E-02 0.107E-03
DAV: 22 -0.913048793630E+02 -0.34478E-06 -0.65541E-07 536 0.388E-03
1 F= -.91304879E+02 E0= -.91309517E+02 d E =0.139128E-01