./iterations/neb0_image04_iter75_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 0.371121996255E+03 0.37112E+03 -0.14317E+04 632 0.799E+02
DAV: 2 0.456570286854E+01 -0.36656E+03 -0.35376E+03 850 0.195E+02
DAV: 3 -0.955079511423E+02 -0.10007E+03 -0.99768E+02 698 0.117E+02
DAV: 4 -0.997649180721E+02 -0.42570E+01 -0.42457E+01 712 0.270E+01
DAV: 5 -0.998465231963E+02 -0.81605E-01 -0.81567E-01 728 0.336E+00 0.222E+01
DAV: 6 -0.913578762136E+02 0.84886E+01 -0.30068E+01 671 0.295E+01 0.116E+01
DAV: 7 -0.905050283251E+02 0.85285E+00 -0.17253E+00 720 0.627E+00 0.479E+00
DAV: 8 -0.901066340260E+02 0.39839E+00 -0.55826E-01 712 0.426E+00 0.165E+00
DAV: 9 -0.900127023064E+02 0.93932E-01 -0.13620E-01 712 0.170E+00 0.434E-01
DAV: 10 -0.900036129607E+02 0.90893E-02 -0.54895E-02 741 0.130E+00 0.341E-01
DAV: 11 -0.900076916452E+02 -0.40787E-02 -0.11920E-02 626 0.614E-01 0.130E-01
DAV: 12 -0.900102164001E+02 -0.25248E-02 -0.39041E-03 639 0.279E-01 0.123E-01
DAV: 13 -0.900141132949E+02 -0.38969E-02 -0.15597E-03 845 0.311E-01 0.649E-02
DAV: 14 -0.900172038266E+02 -0.30905E-02 -0.97325E-04 650 0.146E-01 0.510E-02
DAV: 15 -0.900198507523E+02 -0.26469E-02 -0.38727E-04 709 0.109E-01 0.335E-02
DAV: 16 -0.900211304099E+02 -0.12797E-02 -0.37419E-04 688 0.101E-01 0.288E-02
DAV: 17 -0.900219540865E+02 -0.82368E-03 -0.18648E-04 812 0.870E-02 0.129E-02
DAV: 18 -0.900221752809E+02 -0.22119E-03 -0.31459E-05 608 0.331E-02 0.661E-03
DAV: 19 -0.900223292788E+02 -0.15400E-03 -0.26145E-05 494 0.220E-02 0.384E-03
DAV: 20 -0.900223424257E+02 -0.13147E-04 -0.15769E-06 528 0.781E-03 0.279E-03
DAV: 21 -0.900223838923E+02 -0.41467E-04 -0.70144E-06 395 0.134E-02 0.226E-03
DAV: 22 -0.900223853601E+02 -0.14678E-05 -0.95793E-07 536 0.594E-03
1 F= -.90022385E+02 E0= -.90026759E+02 d E =0.131205E-01