./iterations/neb0_image08_iter256_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 0.374323693675E+03 0.37432E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.396868907544E+01 -0.37036E+03 -0.35798E+03 869 0.196E+02
DAV: 3 -0.965478072737E+02 -0.10052E+03 -0.10019E+03 653 0.117E+02
DAV: 4 -0.101255167919E+03 -0.47074E+01 -0.46954E+01 720 0.293E+01
DAV: 5 -0.101347791779E+03 -0.92624E-01 -0.92574E-01 728 0.371E+00 0.227E+01
DAV: 6 -0.926530780770E+02 0.86947E+01 -0.31011E+01 720 0.301E+01 0.119E+01
DAV: 7 -0.917921486507E+02 0.86093E+00 -0.17262E+00 728 0.614E+00 0.480E+00
DAV: 8 -0.914188277276E+02 0.37332E+00 -0.53643E-01 728 0.393E+00 0.162E+00
DAV: 9 -0.913377346248E+02 0.81093E-01 -0.13128E-01 736 0.154E+00 0.419E-01
DAV: 10 -0.913294162367E+02 0.83184E-02 -0.44526E-02 744 0.107E+00 0.301E-01
DAV: 11 -0.913342294409E+02 -0.48132E-02 -0.13768E-02 608 0.609E-01 0.150E-01
DAV: 12 -0.913371383233E+02 -0.29089E-02 -0.27124E-03 626 0.224E-01 0.114E-01
DAV: 13 -0.913409523009E+02 -0.38140E-02 -0.28352E-03 642 0.278E-01 0.579E-02
DAV: 14 -0.913440660805E+02 -0.31138E-02 -0.80913E-04 664 0.166E-01 0.233E-02
DAV: 15 -0.913455941945E+02 -0.15281E-02 -0.16501E-04 664 0.627E-02 0.174E-02
DAV: 16 -0.913465786598E+02 -0.98447E-03 -0.11707E-04 653 0.610E-02 0.956E-03
DAV: 17 -0.913470392252E+02 -0.46057E-03 -0.44506E-05 653 0.274E-02 0.100E-02
DAV: 18 -0.913471575438E+02 -0.11832E-03 -0.10120E-05 504 0.215E-02 0.465E-03
DAV: 19 -0.913472722326E+02 -0.11469E-03 -0.23296E-05 516 0.220E-02 0.499E-03
DAV: 20 -0.913472817882E+02 -0.95556E-05 -0.17694E-06 528 0.122E-02
1 F= -.91347282E+02 E0= -.91352273E+02 d E =0.149722E-01