iterations/neb0_image02_iter179_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 0.366617724386E+03 0.36662E+03 -0.14294E+04 624 0.799E+02
DAV: 2 0.178277738502E+01 -0.36483E+03 -0.35352E+03 861 0.195E+02
DAV: 3 -0.958389636244E+02 -0.97622E+02 -0.97289E+02 664 0.116E+02
DAV: 4 -0.100218678710E+03 -0.43797E+01 -0.43699E+01 720 0.282E+01
DAV: 5 -0.100303014399E+03 -0.84336E-01 -0.84309E-01 744 0.353E+00 0.222E+01
DAV: 6 -0.916681809896E+02 0.86348E+01 -0.31081E+01 688 0.300E+01 0.117E+01
DAV: 7 -0.908589182931E+02 0.80926E+00 -0.18368E+00 704 0.637E+00 0.484E+00
DAV: 8 -0.904792264447E+02 0.37969E+00 -0.55095E-01 704 0.430E+00 0.170E+00
DAV: 9 -0.903920965719E+02 0.87130E-01 -0.13727E-01 712 0.168E+00 0.430E-01
DAV: 10 -0.903866471308E+02 0.54494E-02 -0.49826E-02 712 0.128E+00 0.331E-01
DAV: 11 -0.903901722906E+02 -0.35252E-02 -0.76743E-03 616 0.581E-01 0.126E-01
DAV: 12 -0.903933004374E+02 -0.31281E-02 -0.72453E-03 648 0.439E-01 0.137E-01
DAV: 13 -0.903958414278E+02 -0.25410E-02 -0.19855E-03 872 0.350E-01 0.820E-02
DAV: 14 -0.903990169907E+02 -0.31756E-02 -0.13945E-03 623 0.174E-01 0.696E-02
DAV: 15 -0.904009104767E+02 -0.18935E-02 -0.33516E-04 680 0.105E-01 0.530E-02
DAV: 16 -0.904023952644E+02 -0.14848E-02 -0.10416E-03 677 0.189E-01 0.398E-02
DAV: 17 -0.904031117904E+02 -0.71653E-03 -0.14785E-04 704 0.829E-02 0.278E-02
DAV: 18 -0.904034031971E+02 -0.29141E-03 -0.91049E-05 680 0.470E-02 0.946E-03
DAV: 19 -0.904035895599E+02 -0.18636E-03 -0.42274E-05 650 0.326E-02 0.752E-03
DAV: 20 -0.904036193043E+02 -0.29744E-04 -0.34784E-06 520 0.135E-02 0.553E-03
DAV: 21 -0.904036752869E+02 -0.55983E-04 -0.11170E-05 428 0.167E-02 0.342E-03
DAV: 22 -0.904036829286E+02 -0.76417E-05 -0.35479E-06 488 0.108E-02
1 F= -.90403683E+02 E0= -.90410562E+02 d E =0.206380E-01