./iterations/neb0_image01_iter48_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 0.366947230117E+03 0.36695E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.349019778211E+01 -0.36346E+03 -0.35004E+03 839 0.195E+02
DAV: 3 -0.956453176949E+02 -0.99136E+02 -0.98793E+02 672 0.116E+02
DAV: 4 -0.100218789508E+03 -0.45735E+01 -0.45638E+01 685 0.287E+01
DAV: 5 -0.100310046471E+03 -0.91257E-01 -0.91204E-01 736 0.362E+00 0.222E+01
DAV: 6 -0.916773940749E+02 0.86327E+01 -0.31124E+01 704 0.299E+01 0.117E+01
DAV: 7 -0.908593961861E+02 0.81800E+00 -0.18360E+00 720 0.635E+00 0.484E+00
DAV: 8 -0.904771253755E+02 0.38227E+00 -0.55797E-01 704 0.427E+00 0.168E+00
DAV: 9 -0.903908054485E+02 0.86320E-01 -0.13807E-01 696 0.166E+00 0.430E-01
DAV: 10 -0.903850017671E+02 0.58037E-02 -0.45642E-02 736 0.126E+00 0.317E-01
DAV: 11 -0.903887783934E+02 -0.37766E-02 -0.68731E-03 616 0.480E-01 0.145E-01
DAV: 12 -0.903922007002E+02 -0.34223E-02 -0.67345E-03 616 0.473E-01 0.124E-01
DAV: 13 -0.903950136073E+02 -0.28129E-02 -0.12103E-03 800 0.295E-01 0.781E-02
DAV: 14 -0.903980028399E+02 -0.29892E-02 -0.16425E-03 637 0.195E-01 0.615E-02
DAV: 15 -0.904001705743E+02 -0.21677E-02 -0.44011E-04 760 0.141E-01 0.424E-02
DAV: 16 -0.904013456358E+02 -0.11751E-02 -0.60034E-04 669 0.138E-01 0.347E-02
DAV: 17 -0.904022804018E+02 -0.93477E-03 -0.17422E-04 746 0.877E-02 0.220E-02
DAV: 18 -0.904024432482E+02 -0.16285E-03 -0.44565E-05 704 0.338E-02 0.142E-02
DAV: 19 -0.904027159565E+02 -0.27271E-03 -0.53097E-05 627 0.373E-02 0.379E-03
DAV: 20 -0.904027701144E+02 -0.54158E-04 -0.47725E-06 480 0.122E-02 0.408E-03
DAV: 21 -0.904028158056E+02 -0.45691E-04 -0.53768E-06 428 0.118E-02 0.324E-03
DAV: 22 -0.904028362753E+02 -0.20470E-04 -0.33708E-06 477 0.809E-03 0.220E-03
DAV: 23 -0.904028390947E+02 -0.28193E-05 -0.19056E-06 504 0.808E-03
1 F= -.90402839E+02 E0= -.90407973E+02 d E =0.154027E-01