iterations/neb0_image05_iter178_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 0.369986003921E+03 0.36999E+03 -0.14303E+04 624 0.799E+02
DAV: 2 0.339522218108E+01 -0.36659E+03 -0.35396E+03 861 0.195E+02
DAV: 3 -0.952979840918E+02 -0.98693E+02 -0.98366E+02 656 0.116E+02
DAV: 4 -0.100002197066E+03 -0.47042E+01 -0.46935E+01 696 0.291E+01
DAV: 5 -0.100098479245E+03 -0.96282E-01 -0.96232E-01 720 0.370E+00 0.222E+01
DAV: 6 -0.915670643192E+02 0.85314E+01 -0.30495E+01 680 0.298E+01 0.117E+01
DAV: 7 -0.907715223494E+02 0.79554E+00 -0.18629E+00 736 0.639E+00 0.482E+00
DAV: 8 -0.903980764198E+02 0.37345E+00 -0.52232E-01 728 0.420E+00 0.171E+00
DAV: 9 -0.903080877912E+02 0.89989E-01 -0.13993E-01 720 0.168E+00 0.433E-01
DAV: 10 -0.903005200409E+02 0.75678E-02 -0.45887E-02 752 0.128E+00 0.320E-01
DAV: 11 -0.903035565752E+02 -0.30365E-02 -0.63502E-03 624 0.494E-01 0.150E-01
DAV: 12 -0.903063825377E+02 -0.28260E-02 -0.72396E-03 615 0.489E-01 0.129E-01
DAV: 13 -0.903090401141E+02 -0.26576E-02 -0.15598E-03 880 0.306E-01 0.739E-02
DAV: 14 -0.903122836537E+02 -0.32435E-02 -0.12105E-03 652 0.152E-01 0.472E-02
DAV: 15 -0.903153755914E+02 -0.30919E-02 -0.50338E-04 680 0.102E-01 0.440E-02
DAV: 16 -0.903167163874E+02 -0.13408E-02 -0.40132E-04 704 0.115E-01 0.180E-02
DAV: 17 -0.903175018336E+02 -0.78545E-03 -0.89652E-05 661 0.478E-02 0.212E-02
DAV: 18 -0.903178507082E+02 -0.34887E-03 -0.59607E-05 656 0.391E-02 0.943E-03
DAV: 19 -0.903179440742E+02 -0.93366E-04 -0.17431E-05 488 0.241E-02 0.434E-03
DAV: 20 -0.903180061068E+02 -0.62033E-04 -0.89792E-06 426 0.137E-02 0.351E-03
DAV: 21 -0.903180255609E+02 -0.19454E-04 -0.33055E-06 504 0.955E-03 0.192E-03
DAV: 22 -0.903180322548E+02 -0.66939E-05 -0.19403E-06 418 0.715E-03
1 F= -.90318032E+02 E0= -.90325958E+02 d E =0.237781E-01