iterations/neb0_image05_iter102_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 0.373312169844E+03 0.37331E+03 -0.14306E+04 632 0.799E+02
DAV: 2 0.320653623648E+01 -0.37011E+03 -0.35771E+03 890 0.194E+02
DAV: 3 -0.942714149419E+02 -0.97478E+02 -0.97123E+02 637 0.116E+02
DAV: 4 -0.988269544034E+02 -0.45555E+01 -0.45441E+01 704 0.295E+01
DAV: 5 -0.989246961658E+02 -0.97742E-01 -0.97690E-01 728 0.384E+00 0.219E+01
DAV: 6 -0.905602819809E+02 0.83644E+01 -0.28650E+01 674 0.288E+01 0.112E+01
DAV: 7 -0.896694068419E+02 0.89088E+00 -0.18065E+00 728 0.672E+00 0.469E+00
DAV: 8 -0.892742688077E+02 0.39514E+00 -0.63342E-01 712 0.453E+00 0.156E+00
DAV: 9 -0.891914728669E+02 0.82796E-01 -0.12540E-01 728 0.170E+00 0.452E-01
DAV: 10 -0.891793154801E+02 0.12157E-01 -0.52174E-02 728 0.123E+00 0.350E-01
DAV: 11 -0.891807439111E+02 -0.14284E-02 -0.13028E-02 640 0.653E-01 0.127E-01
DAV: 12 -0.891821729945E+02 -0.14291E-02 -0.33288E-03 680 0.326E-01 0.128E-01
DAV: 13 -0.891881330307E+02 -0.59600E-02 -0.37260E-03 679 0.406E-01 0.794E-02
DAV: 14 -0.891908165488E+02 -0.26835E-02 -0.88552E-04 688 0.163E-01 0.560E-02
DAV: 15 -0.891939171317E+02 -0.31006E-02 -0.13408E-03 634 0.209E-01 0.443E-02
DAV: 16 -0.891948730796E+02 -0.95595E-03 -0.16695E-04 760 0.889E-02 0.257E-02
DAV: 17 -0.891960506808E+02 -0.11776E-02 -0.24990E-04 628 0.813E-02 0.123E-02
DAV: 18 -0.891965502740E+02 -0.49959E-03 -0.46701E-05 608 0.371E-02 0.842E-03
DAV: 19 -0.891967293002E+02 -0.17903E-03 -0.28753E-05 528 0.290E-02 0.485E-03
DAV: 20 -0.891968330486E+02 -0.10375E-03 -0.15396E-05 430 0.178E-02 0.527E-03
DAV: 21 -0.891968472718E+02 -0.14223E-04 -0.22762E-06 504 0.939E-03 0.397E-03
DAV: 22 -0.891968578962E+02 -0.10624E-04 -0.71182E-06 409 0.173E-02 0.290E-03
DAV: 23 -0.891968583699E+02 -0.47369E-06 -0.14879E-06 544 0.827E-03
1 F= -.89196858E+02 E0= -.89200826E+02 d E =0.119043E-01