./iterations/neb0_image03_iter51_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 0.367959311756E+03 0.36796E+03 -0.14322E+04 632 0.799E+02
DAV: 2 0.394894622997E+01 -0.36401E+03 -0.35078E+03 845 0.195E+02
DAV: 3 -0.953433179133E+02 -0.99292E+02 -0.98960E+02 656 0.116E+02
DAV: 4 -0.100058880511E+03 -0.47156E+01 -0.47054E+01 704 0.294E+01
DAV: 5 -0.100151179499E+03 -0.92299E-01 -0.92258E-01 736 0.371E+00 0.222E+01
DAV: 6 -0.915495684504E+02 0.86016E+01 -0.30694E+01 688 0.297E+01 0.116E+01
DAV: 7 -0.907082265542E+02 0.84134E+00 -0.18753E+00 704 0.643E+00 0.483E+00
DAV: 8 -0.903035462515E+02 0.40468E+00 -0.57097E-01 696 0.436E+00 0.166E+00
DAV: 9 -0.902076294958E+02 0.95917E-01 -0.14415E-01 704 0.175E+00 0.436E-01
DAV: 10 -0.901992569278E+02 0.83726E-02 -0.46791E-02 696 0.116E+00 0.325E-01
DAV: 11 -0.902031340828E+02 -0.38772E-02 -0.81190E-03 605 0.515E-01 0.121E-01
DAV: 12 -0.902062662218E+02 -0.31321E-02 -0.47286E-03 642 0.330E-01 0.128E-01
DAV: 13 -0.902093279838E+02 -0.30618E-02 -0.15163E-03 840 0.322E-01 0.673E-02
DAV: 14 -0.902127973608E+02 -0.34694E-02 -0.11004E-03 634 0.154E-01 0.511E-02
DAV: 15 -0.902152396771E+02 -0.24423E-02 -0.30514E-04 688 0.952E-02 0.321E-02
DAV: 16 -0.902168970014E+02 -0.16573E-02 -0.46767E-04 672 0.116E-01 0.311E-02
DAV: 17 -0.902175503369E+02 -0.65334E-03 -0.12656E-04 784 0.747E-02 0.144E-02
DAV: 18 -0.902179692306E+02 -0.41889E-03 -0.90444E-05 647 0.491E-02 0.881E-03
DAV: 19 -0.902180583018E+02 -0.89071E-04 -0.60977E-06 488 0.170E-02 0.657E-03
DAV: 20 -0.902181308896E+02 -0.72588E-04 -0.20087E-05 504 0.275E-02 0.513E-03
DAV: 21 -0.902181607135E+02 -0.29824E-04 -0.42611E-06 472 0.147E-02 0.313E-03
DAV: 22 -0.902181705659E+02 -0.98523E-05 -0.32560E-06 464 0.102E-02
1 F= -.90218171E+02 E0= -.90227061E+02 d E =0.266707E-01