./iterations/neb0_image06_iter155_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 0.371399718902E+03 0.37140E+03 -0.14344E+04 640 0.799E+02
DAV: 2 0.375266503846E+01 -0.36765E+03 -0.35595E+03 874 0.193E+02
DAV: 3 -0.960293000661E+02 -0.99782E+02 -0.99453E+02 690 0.116E+02
DAV: 4 -0.100495197338E+03 -0.44659E+01 -0.44535E+01 704 0.277E+01
DAV: 5 -0.100582243990E+03 -0.87047E-01 -0.86998E-01 736 0.347E+00 0.226E+01
DAV: 6 -0.919663616679E+02 0.86159E+01 -0.30865E+01 717 0.305E+01 0.118E+01
DAV: 7 -0.911432070965E+02 0.82315E+00 -0.17500E+00 712 0.631E+00 0.481E+00
DAV: 8 -0.907659972401E+02 0.37721E+00 -0.53182E-01 728 0.402E+00 0.170E+00
DAV: 9 -0.906734308653E+02 0.92566E-01 -0.13363E-01 720 0.160E+00 0.424E-01
DAV: 10 -0.906633721830E+02 0.10059E-01 -0.35630E-02 760 0.947E-01 0.280E-01
DAV: 11 -0.906672859669E+02 -0.39138E-02 -0.85063E-03 610 0.475E-01 0.137E-01
DAV: 12 -0.906700184521E+02 -0.27325E-02 -0.16973E-03 645 0.233E-01 0.886E-02
DAV: 13 -0.906742369290E+02 -0.42185E-02 -0.16419E-03 627 0.194E-01 0.609E-02
DAV: 14 -0.906771772049E+02 -0.29403E-02 -0.72444E-04 752 0.194E-01 0.300E-02
DAV: 15 -0.906793830064E+02 -0.22058E-02 -0.31458E-04 642 0.874E-02 0.371E-02
DAV: 16 -0.906806333979E+02 -0.12504E-02 -0.25964E-04 736 0.101E-01 0.182E-02
DAV: 17 -0.906814164620E+02 -0.78306E-03 -0.13492E-04 647 0.599E-02 0.167E-02
DAV: 18 -0.906816107058E+02 -0.19424E-03 -0.27404E-05 584 0.343E-02 0.747E-03
DAV: 19 -0.906817912808E+02 -0.18058E-03 -0.30181E-05 553 0.238E-02 0.448E-03
DAV: 20 -0.906818106881E+02 -0.19407E-04 -0.13795E-06 528 0.971E-03 0.236E-03
DAV: 21 -0.906818473224E+02 -0.36634E-04 -0.82808E-06 400 0.159E-02 0.297E-03
DAV: 22 -0.906818495827E+02 -0.22602E-05 -0.12014E-06 520 0.104E-02
1 F= -.90681850E+02 E0= -.90686559E+02 d E =0.141289E-01