./iterations/neb0_image05_iter83_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 0.373034897617E+03 0.37303E+03 -0.14305E+04 632 0.799E+02
DAV: 2 0.341183024021E+01 -0.36962E+03 -0.35739E+03 885 0.194E+02
DAV: 3 -0.941340096899E+02 -0.97546E+02 -0.97202E+02 645 0.116E+02
DAV: 4 -0.986518712457E+02 -0.45179E+01 -0.45067E+01 696 0.292E+01
DAV: 5 -0.987506683702E+02 -0.98797E-01 -0.98756E-01 744 0.381E+00 0.218E+01
DAV: 6 -0.904818954411E+02 0.82688E+01 -0.28788E+01 706 0.289E+01 0.112E+01
DAV: 7 -0.896240364041E+02 0.85786E+00 -0.17925E+00 720 0.677E+00 0.468E+00
DAV: 8 -0.892363475269E+02 0.38769E+00 -0.61918E-01 712 0.446E+00 0.155E+00
DAV: 9 -0.891529788682E+02 0.83369E-01 -0.12339E-01 728 0.163E+00 0.443E-01
DAV: 10 -0.891412415025E+02 0.11737E-01 -0.48616E-02 712 0.119E+00 0.335E-01
DAV: 11 -0.891427723248E+02 -0.15308E-02 -0.98301E-03 640 0.568E-01 0.118E-01
DAV: 12 -0.891449958010E+02 -0.22235E-02 -0.33634E-03 680 0.313E-01 0.119E-01
DAV: 13 -0.891504196655E+02 -0.54239E-02 -0.17404E-03 802 0.293E-01 0.644E-02
DAV: 14 -0.891530941895E+02 -0.26745E-02 -0.78384E-04 666 0.131E-01 0.439E-02
DAV: 15 -0.891563233137E+02 -0.32291E-02 -0.74531E-04 714 0.155E-01 0.334E-02
DAV: 16 -0.891571587249E+02 -0.83541E-03 -0.87220E-05 728 0.571E-02 0.237E-02
DAV: 17 -0.891581800955E+02 -0.10214E-02 -0.21877E-04 671 0.801E-02 0.128E-02
DAV: 18 -0.891585978250E+02 -0.41773E-03 -0.46307E-05 672 0.452E-02 0.674E-03
DAV: 19 -0.891587307572E+02 -0.13293E-03 -0.17959E-05 528 0.219E-02 0.478E-03
DAV: 20 -0.891588205110E+02 -0.89754E-04 -0.13043E-05 420 0.198E-02 0.311E-03
DAV: 21 -0.891588421320E+02 -0.21621E-04 -0.35696E-06 496 0.892E-03 0.292E-03
DAV: 22 -0.891588503365E+02 -0.82045E-05 -0.26529E-06 421 0.114E-02
1 F= -.89158850E+02 E0= -.89162870E+02 d E =0.120596E-01