iterations/neb0_image05_iter108_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 0.372715280634E+03 0.37272E+03 -0.14302E+04 632 0.799E+02
DAV: 2 0.367770383123E+01 -0.36904E+03 -0.35674E+03 882 0.194E+02
DAV: 3 -0.941866255580E+02 -0.97864E+02 -0.97504E+02 637 0.116E+02
DAV: 4 -0.987960198347E+02 -0.46094E+01 -0.45974E+01 704 0.297E+01
DAV: 5 -0.988942749027E+02 -0.98255E-01 -0.98201E-01 720 0.385E+00 0.219E+01
DAV: 6 -0.905493057497E+02 0.83450E+01 -0.28686E+01 674 0.289E+01 0.112E+01
DAV: 7 -0.896716496479E+02 0.87766E+00 -0.17983E+00 736 0.668E+00 0.469E+00
DAV: 8 -0.892816004090E+02 0.39005E+00 -0.62390E-01 704 0.447E+00 0.157E+00
DAV: 9 -0.891990923257E+02 0.82508E-01 -0.12557E-01 728 0.167E+00 0.448E-01
DAV: 10 -0.891874716209E+02 0.11621E-01 -0.50232E-02 736 0.121E+00 0.342E-01
DAV: 11 -0.891891455659E+02 -0.16739E-02 -0.12041E-02 656 0.634E-01 0.125E-01
DAV: 12 -0.891908072591E+02 -0.16617E-02 -0.33217E-03 677 0.318E-01 0.126E-01
DAV: 13 -0.891964973412E+02 -0.56901E-02 -0.29983E-03 671 0.371E-01 0.731E-02
DAV: 14 -0.891991894894E+02 -0.26921E-02 -0.85427E-04 696 0.151E-01 0.545E-02
DAV: 15 -0.892021881974E+02 -0.29987E-02 -0.10308E-03 623 0.189E-01 0.367E-02
DAV: 16 -0.892032209795E+02 -0.10328E-02 -0.13038E-04 736 0.752E-02 0.242E-02
DAV: 17 -0.892043203206E+02 -0.10993E-02 -0.20125E-04 625 0.717E-02 0.102E-02
DAV: 18 -0.892048258630E+02 -0.50554E-03 -0.46918E-05 605 0.371E-02 0.619E-03
DAV: 19 -0.892049655950E+02 -0.13973E-03 -0.12751E-05 512 0.187E-02 0.355E-03
DAV: 20 -0.892050665254E+02 -0.10093E-03 -0.17145E-05 459 0.192E-02 0.398E-03
DAV: 21 -0.892050827821E+02 -0.16257E-04 -0.22771E-06 504 0.879E-03 0.308E-03
DAV: 22 -0.892050903195E+02 -0.75374E-05 -0.38239E-06 423 0.123E-02
1 F= -.89205090E+02 E0= -.89208972E+02 d E =0.116457E-01