iterations/neb0_image02_iter241_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 0.365629317541E+03 0.36563E+03 -0.14292E+04 624 0.799E+02
DAV: 2 0.216262096260E+00 -0.36541E+03 -0.35484E+03 877 0.195E+02
DAV: 3 -0.955704807737E+02 -0.95787E+02 -0.95456E+02 621 0.115E+02
DAV: 4 -0.100198602717E+03 -0.46281E+01 -0.46177E+01 712 0.298E+01
DAV: 5 -0.100291689053E+03 -0.93086E-01 -0.93057E-01 744 0.378E+00 0.221E+01
DAV: 6 -0.916644274101E+02 0.86273E+01 -0.30955E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.908507213529E+02 0.81371E+00 -0.18013E+00 712 0.636E+00 0.484E+00
DAV: 8 -0.904711157479E+02 0.37961E+00 -0.55784E-01 704 0.432E+00 0.169E+00
DAV: 9 -0.903865682139E+02 0.84548E-01 -0.13377E-01 720 0.165E+00 0.428E-01
DAV: 10 -0.903819202794E+02 0.46479E-02 -0.48223E-02 712 0.124E+00 0.328E-01
DAV: 11 -0.903856120013E+02 -0.36917E-02 -0.74487E-03 624 0.596E-01 0.118E-01
DAV: 12 -0.903885890489E+02 -0.29770E-02 -0.63277E-03 632 0.405E-01 0.131E-01
DAV: 13 -0.903913295669E+02 -0.27405E-02 -0.17708E-03 861 0.321E-01 0.815E-02
DAV: 14 -0.903943570455E+02 -0.30275E-02 -0.12297E-03 615 0.162E-01 0.667E-02
DAV: 15 -0.903962535517E+02 -0.18965E-02 -0.33795E-04 688 0.107E-01 0.479E-02
DAV: 16 -0.903976428267E+02 -0.13893E-02 -0.86636E-04 672 0.169E-01 0.378E-02
DAV: 17 -0.903982147662E+02 -0.57194E-03 -0.13338E-04 776 0.822E-02 0.224E-02
DAV: 18 -0.903984437461E+02 -0.22898E-03 -0.71103E-05 688 0.430E-02 0.686E-03
DAV: 19 -0.903986878873E+02 -0.24414E-03 -0.30761E-05 561 0.245E-02 0.437E-03
DAV: 20 -0.903987340614E+02 -0.46174E-04 -0.30498E-06 504 0.104E-02 0.389E-03
DAV: 21 -0.903987867952E+02 -0.52734E-04 -0.10255E-05 412 0.157E-02 0.325E-03
DAV: 22 -0.903987924371E+02 -0.56419E-05 -0.22133E-06 504 0.873E-03
1 F= -.90398792E+02 E0= -.90405900E+02 d E =0.213240E-01