./iterations/neb0_image03_iter221_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 0.363988629519E+03 0.36399E+03 -0.14328E+04 632 0.799E+02
DAV: 2 -0.148767948225E+00 -0.36414E+03 -0.35437E+03 855 0.195E+02
DAV: 3 -0.960763486449E+02 -0.95928E+02 -0.95618E+02 664 0.115E+02
DAV: 4 -0.100325071001E+03 -0.42487E+01 -0.42377E+01 712 0.277E+01
DAV: 5 -0.100408579529E+03 -0.83509E-01 -0.83474E-01 736 0.349E+00 0.223E+01
DAV: 6 -0.917409569066E+02 0.86676E+01 -0.31089E+01 672 0.299E+01 0.117E+01
DAV: 7 -0.908897236083E+02 0.85123E+00 -0.18059E+00 712 0.635E+00 0.485E+00
DAV: 8 -0.904931728666E+02 0.39655E+00 -0.56495E-01 704 0.430E+00 0.169E+00
DAV: 9 -0.903995620316E+02 0.93611E-01 -0.13251E-01 720 0.169E+00 0.438E-01
DAV: 10 -0.903920895784E+02 0.74725E-02 -0.50507E-02 712 0.125E+00 0.342E-01
DAV: 11 -0.903965054079E+02 -0.44158E-02 -0.92422E-03 624 0.648E-01 0.121E-01
DAV: 12 -0.903995351909E+02 -0.30298E-02 -0.53866E-03 621 0.336E-01 0.124E-01
DAV: 13 -0.904035892634E+02 -0.40541E-02 -0.18944E-03 901 0.335E-01 0.872E-02
DAV: 14 -0.904066697763E+02 -0.30805E-02 -0.11057E-03 661 0.157E-01 0.604E-02
DAV: 15 -0.904088740647E+02 -0.22043E-02 -0.36511E-04 656 0.103E-01 0.279E-02
DAV: 16 -0.904105527442E+02 -0.16787E-02 -0.36060E-04 661 0.967E-02 0.263E-02
DAV: 17 -0.904112872237E+02 -0.73448E-03 -0.13906E-04 776 0.777E-02 0.117E-02
DAV: 18 -0.904116385589E+02 -0.35134E-03 -0.69238E-05 656 0.410E-02 0.103E-02
DAV: 19 -0.904117055019E+02 -0.66943E-04 -0.63931E-06 512 0.176E-02 0.569E-03
DAV: 20 -0.904117897974E+02 -0.84295E-04 -0.27844E-05 522 0.295E-02 0.627E-03
DAV: 21 -0.904118107284E+02 -0.20931E-04 -0.27804E-06 496 0.127E-02 0.436E-03
DAV: 22 -0.904118246141E+02 -0.13886E-04 -0.48268E-06 421 0.128E-02 0.926E-04
DAV: 23 -0.904118293695E+02 -0.47553E-05 -0.11529E-06 480 0.550E-03
1 F= -.90411829E+02 E0= -.90418971E+02 d E =0.214248E-01