iterations/neb0_image02_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 0.365846954649E+03 0.36585E+03 -0.14294E+04 624 0.799E+02
DAV: 2 0.264878751127E+00 -0.36558E+03 -0.35502E+03 877 0.195E+02
DAV: 3 -0.956737929804E+02 -0.95939E+02 -0.95611E+02 629 0.115E+02
DAV: 4 -0.100218906990E+03 -0.45451E+01 -0.45346E+01 712 0.294E+01
DAV: 5 -0.100309348553E+03 -0.90442E-01 -0.90413E-01 744 0.372E+00 0.222E+01
DAV: 6 -0.916667830545E+02 0.86426E+01 -0.31031E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.908540606046E+02 0.81272E+00 -0.18083E+00 712 0.636E+00 0.484E+00
DAV: 8 -0.904741167054E+02 0.37994E+00 -0.55519E-01 696 0.431E+00 0.169E+00
DAV: 9 -0.903890098148E+02 0.85107E-01 -0.13498E-01 720 0.166E+00 0.428E-01
DAV: 10 -0.903843404326E+02 0.46694E-02 -0.48729E-02 704 0.125E+00 0.329E-01
DAV: 11 -0.903880225999E+02 -0.36822E-02 -0.75777E-03 632 0.593E-01 0.119E-01
DAV: 12 -0.903910815739E+02 -0.30590E-02 -0.65913E-03 632 0.415E-01 0.134E-01
DAV: 13 -0.903937336840E+02 -0.26521E-02 -0.18574E-03 861 0.331E-01 0.814E-02
DAV: 14 -0.903968017364E+02 -0.30681E-02 -0.13040E-03 623 0.169E-01 0.692E-02
DAV: 15 -0.903986219049E+02 -0.18202E-02 -0.32098E-04 672 0.104E-01 0.517E-02
DAV: 16 -0.904000466700E+02 -0.14248E-02 -0.99162E-04 677 0.184E-01 0.394E-02
DAV: 17 -0.904006349052E+02 -0.58824E-03 -0.12961E-04 704 0.813E-02 0.264E-02
DAV: 18 -0.904009355537E+02 -0.30065E-03 -0.10101E-04 672 0.507E-02 0.738E-03
DAV: 19 -0.904011335895E+02 -0.19804E-03 -0.30410E-05 572 0.262E-02 0.618E-03
DAV: 20 -0.904011720612E+02 -0.38472E-04 -0.30909E-06 504 0.115E-02 0.541E-03
DAV: 21 -0.904012263877E+02 -0.54327E-04 -0.12965E-05 409 0.195E-02 0.353E-03
DAV: 22 -0.904012306970E+02 -0.43092E-05 -0.36475E-06 504 0.112E-02
1 F= -.90401231E+02 E0= -.90408155E+02 d E =0.207718E-01