iterations/neb0_image05_iter106_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 0.372888322434E+03 0.37289E+03 -0.14303E+04 632 0.799E+02
DAV: 2 0.367822449506E+01 -0.36921E+03 -0.35687E+03 882 0.194E+02
DAV: 3 -0.942172146082E+02 -0.97895E+02 -0.97533E+02 637 0.116E+02
DAV: 4 -0.988168022950E+02 -0.45996E+01 -0.45876E+01 712 0.297E+01
DAV: 5 -0.989146811610E+02 -0.97879E-01 -0.97826E-01 720 0.384E+00 0.219E+01
DAV: 6 -0.905562444325E+02 0.83584E+01 -0.28671E+01 682 0.289E+01 0.112E+01
DAV: 7 -0.896694732580E+02 0.88677E+00 -0.17988E+00 736 0.670E+00 0.469E+00
DAV: 8 -0.892766535795E+02 0.39282E+00 -0.63039E-01 704 0.450E+00 0.157E+00
DAV: 9 -0.891937562700E+02 0.82897E-01 -0.12566E-01 728 0.169E+00 0.451E-01
DAV: 10 -0.891818277276E+02 0.11929E-01 -0.50787E-02 736 0.122E+00 0.345E-01
DAV: 11 -0.891833648505E+02 -0.15371E-02 -0.12781E-02 640 0.649E-01 0.129E-01
DAV: 12 -0.891848349678E+02 -0.14701E-02 -0.32655E-03 688 0.324E-01 0.127E-01
DAV: 13 -0.891906742594E+02 -0.58393E-02 -0.35795E-03 671 0.397E-01 0.781E-02
DAV: 14 -0.891933867490E+02 -0.27125E-02 -0.87456E-04 680 0.161E-01 0.558E-02
DAV: 15 -0.891964416363E+02 -0.30549E-02 -0.12782E-03 631 0.206E-01 0.427E-02
DAV: 16 -0.891974456466E+02 -0.10040E-02 -0.16366E-04 760 0.888E-02 0.246E-02
DAV: 17 -0.891986084257E+02 -0.11628E-02 -0.22775E-04 625 0.766E-02 0.115E-02
DAV: 18 -0.891991177710E+02 -0.50935E-03 -0.48075E-05 610 0.368E-02 0.778E-03
DAV: 19 -0.891992892266E+02 -0.17146E-03 -0.23435E-05 536 0.262E-02 0.445E-03
DAV: 20 -0.891993921025E+02 -0.10288E-03 -0.15574E-05 427 0.181E-02 0.488E-03
DAV: 21 -0.891994060937E+02 -0.13991E-04 -0.22276E-06 504 0.954E-03 0.366E-03
DAV: 22 -0.891994171241E+02 -0.11030E-04 -0.67323E-06 406 0.169E-02 0.295E-03
DAV: 23 -0.891994175585E+02 -0.43440E-06 -0.14100E-06 544 0.819E-03
1 F= -.89199418E+02 E0= -.89203310E+02 d E =0.116788E-01