iterations/neb0_image04_iter174_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 0.363579426767E+03 0.36358E+03 -0.14357E+04 640 0.799E+02
DAV: 2 0.106366521670E+01 -0.36252E+03 -0.34966E+03 863 0.193E+02
DAV: 3 -0.960750701212E+02 -0.97139E+02 -0.96839E+02 674 0.115E+02
DAV: 4 -0.100248479649E+03 -0.41734E+01 -0.41634E+01 704 0.273E+01
DAV: 5 -0.100327234193E+03 -0.78755E-01 -0.78720E-01 736 0.340E+00 0.223E+01
DAV: 6 -0.916247647963E+02 0.87025E+01 -0.31004E+01 690 0.297E+01 0.117E+01
DAV: 7 -0.907574915485E+02 0.86727E+00 -0.17657E+00 704 0.628E+00 0.483E+00
DAV: 8 -0.903474959593E+02 0.41000E+00 -0.57108E-01 704 0.432E+00 0.165E+00
DAV: 9 -0.902544469361E+02 0.93049E-01 -0.12560E-01 720 0.192E+00 0.479E-01
DAV: 10 -0.902447186655E+02 0.97283E-02 -0.33741E-02 720 0.939E-01 0.342E-01
DAV: 11 -0.902470698355E+02 -0.23512E-02 -0.10651E-02 664 0.725E-01 0.237E-01
DAV: 12 -0.902485716483E+02 -0.15018E-02 -0.36820E-03 757 0.565E-01 0.116E-01
DAV: 13 -0.902529564495E+02 -0.43848E-02 -0.30075E-03 617 0.306E-01 0.964E-02
DAV: 14 -0.902563960602E+02 -0.34396E-02 -0.80790E-04 640 0.158E-01 0.417E-02
DAV: 15 -0.902595616770E+02 -0.31656E-02 -0.69577E-04 666 0.128E-01 0.336E-02
DAV: 16 -0.902614226413E+02 -0.18610E-02 -0.23103E-04 720 0.115E-01 0.190E-02
DAV: 17 -0.902626794341E+02 -0.12568E-02 -0.19631E-04 652 0.627E-02 0.222E-02
DAV: 18 -0.902630409516E+02 -0.36152E-03 -0.10939E-04 768 0.780E-02 0.116E-02
DAV: 19 -0.902632517015E+02 -0.21075E-03 -0.40532E-05 641 0.312E-02 0.134E-02
DAV: 20 -0.902633035134E+02 -0.51812E-04 -0.46187E-06 512 0.131E-02 0.958E-03
DAV: 21 -0.902633899629E+02 -0.86449E-04 -0.35937E-05 545 0.364E-02 0.528E-03
DAV: 22 -0.902634000617E+02 -0.10099E-04 -0.42077E-06 496 0.157E-02 0.349E-03
DAV: 23 -0.902634036706E+02 -0.36089E-05 -0.33235E-06 488 0.959E-03
1 F= -.90263404E+02 E0= -.90271955E+02 d E =0.256529E-01