./iterations/neb0_image03_iter241_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 0.362608648374E+03 0.36261E+03 -0.14320E+04 632 0.799E+02
DAV: 2 -0.398191185010E+00 -0.36301E+03 -0.35371E+03 855 0.195E+02
DAV: 3 -0.959392435012E+02 -0.95541E+02 -0.95233E+02 656 0.115E+02
DAV: 4 -0.100250449977E+03 -0.43112E+01 -0.43003E+01 720 0.282E+01
DAV: 5 -0.100334786068E+03 -0.84336E-01 -0.84308E-01 720 0.354E+00 0.222E+01
DAV: 6 -0.917070338418E+02 0.86278E+01 -0.31186E+01 677 0.299E+01 0.117E+01
DAV: 7 -0.908719374171E+02 0.83510E+00 -0.17800E+00 720 0.633E+00 0.484E+00
DAV: 8 -0.904816017911E+02 0.39034E+00 -0.55997E-01 704 0.428E+00 0.169E+00
DAV: 9 -0.903905738921E+02 0.91028E-01 -0.12922E-01 720 0.168E+00 0.435E-01
DAV: 10 -0.903839687616E+02 0.66051E-02 -0.41128E-02 709 0.107E+00 0.320E-01
DAV: 11 -0.903884269959E+02 -0.44582E-02 -0.71596E-03 624 0.563E-01 0.123E-01
DAV: 12 -0.903911040836E+02 -0.26771E-02 -0.30128E-03 632 0.302E-01 0.990E-02
DAV: 13 -0.903960729231E+02 -0.49688E-02 -0.20099E-03 618 0.220E-01 0.889E-02
DAV: 14 -0.903994122839E+02 -0.33394E-02 -0.13819E-03 677 0.184E-01 0.384E-02
DAV: 15 -0.904010756963E+02 -0.16634E-02 -0.20523E-04 672 0.701E-02 0.266E-02
DAV: 16 -0.904026887800E+02 -0.16131E-02 -0.27054E-04 655 0.808E-02 0.136E-02
DAV: 17 -0.904031678767E+02 -0.47910E-03 -0.43702E-05 640 0.343E-02 0.124E-02
DAV: 18 -0.904035106488E+02 -0.34277E-03 -0.65847E-05 620 0.430E-02 0.727E-03
DAV: 19 -0.904035911175E+02 -0.80469E-04 -0.81957E-06 488 0.190E-02 0.506E-03
DAV: 20 -0.904036423769E+02 -0.51259E-04 -0.11658E-05 445 0.186E-02 0.244E-03
DAV: 21 -0.904036686557E+02 -0.26279E-04 -0.46479E-06 456 0.980E-03 0.214E-03
DAV: 22 -0.904036735362E+02 -0.48805E-05 -0.97796E-07 520 0.517E-03
1 F= -.90403674E+02 E0= -.90411969E+02 d E =0.248851E-01