iterations/neb0_image09_iter196_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 0.374167298688E+03 0.37417E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.324928987331E+01 -0.37092E+03 -0.35821E+03 869 0.196E+02
DAV: 3 -0.966441842093E+02 -0.99893E+02 -0.99562E+02 653 0.117E+02
DAV: 4 -0.101257943638E+03 -0.46138E+01 -0.46030E+01 720 0.291E+01
DAV: 5 -0.101348956038E+03 -0.91012E-01 -0.90971E-01 728 0.370E+00 0.227E+01
DAV: 6 -0.926766697262E+02 0.86723E+01 -0.30979E+01 725 0.301E+01 0.119E+01
DAV: 7 -0.918095973844E+02 0.86707E+00 -0.17179E+00 720 0.613E+00 0.479E+00
DAV: 8 -0.914343341711E+02 0.37526E+00 -0.54128E-01 712 0.394E+00 0.163E+00
DAV: 9 -0.913525254285E+02 0.81809E-01 -0.13179E-01 712 0.155E+00 0.423E-01
DAV: 10 -0.913442313098E+02 0.82941E-02 -0.44261E-02 776 0.110E+00 0.300E-01
DAV: 11 -0.913486320555E+02 -0.44007E-02 -0.12074E-02 608 0.573E-01 0.135E-01
DAV: 12 -0.913517895768E+02 -0.31575E-02 -0.28243E-03 623 0.244E-01 0.106E-01
DAV: 13 -0.913553398168E+02 -0.35502E-02 -0.12665E-03 661 0.191E-01 0.442E-02
DAV: 14 -0.913587530462E+02 -0.34132E-02 -0.73811E-04 664 0.158E-01 0.355E-02
DAV: 15 -0.913599298505E+02 -0.11768E-02 -0.12690E-04 728 0.772E-02 0.329E-02
DAV: 16 -0.913614155247E+02 -0.14857E-02 -0.36944E-04 648 0.101E-01 0.193E-02
DAV: 17 -0.913618067959E+02 -0.39127E-03 -0.74523E-05 744 0.643E-02 0.122E-02
DAV: 18 -0.913620233758E+02 -0.21658E-03 -0.32738E-05 581 0.252E-02 0.923E-03
DAV: 19 -0.913621197690E+02 -0.96393E-04 -0.11037E-05 472 0.161E-02 0.436E-03
DAV: 20 -0.913621594156E+02 -0.39647E-04 -0.74582E-06 440 0.163E-02 0.205E-03
DAV: 21 -0.913621753422E+02 -0.15927E-04 -0.41519E-06 439 0.972E-03 0.259E-03
DAV: 22 -0.913621776765E+02 -0.23343E-05 -0.63155E-07 504 0.549E-03
1 F= -.91362178E+02 E0= -.91366949E+02 d E =0.143150E-01