./iterations/neb0_image03_iter99_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 0.366880780304E+03 0.36688E+03 -0.14318E+04 632 0.799E+02
DAV: 2 0.309045862830E+01 -0.36379E+03 -0.35046E+03 845 0.195E+02
DAV: 3 -0.955753264187E+02 -0.98666E+02 -0.98346E+02 664 0.116E+02
DAV: 4 -0.100134924470E+03 -0.45596E+01 -0.45498E+01 712 0.288E+01
DAV: 5 -0.100224103737E+03 -0.89179E-01 -0.89143E-01 736 0.362E+00 0.222E+01
DAV: 6 -0.916582007215E+02 0.85659E+01 -0.30599E+01 688 0.296E+01 0.116E+01
DAV: 7 -0.908118546228E+02 0.84635E+00 -0.18097E+00 712 0.639E+00 0.482E+00
DAV: 8 -0.904092851038E+02 0.40257E+00 -0.56994E-01 688 0.434E+00 0.166E+00
DAV: 9 -0.903150705021E+02 0.94215E-01 -0.13243E-01 696 0.181E+00 0.454E-01
DAV: 10 -0.903067671581E+02 0.83033E-02 -0.38652E-02 728 0.101E+00 0.332E-01
DAV: 11 -0.903094940491E+02 -0.27269E-02 -0.66925E-03 728 0.576E-01 0.135E-01
DAV: 12 -0.903115401202E+02 -0.20461E-02 -0.32539E-03 626 0.320E-01 0.109E-01
DAV: 13 -0.903163586736E+02 -0.48186E-02 -0.26863E-03 637 0.294E-01 0.818E-02
DAV: 14 -0.903205438493E+02 -0.41852E-02 -0.10678E-03 653 0.176E-01 0.456E-02
DAV: 15 -0.903223444871E+02 -0.18006E-02 -0.29801E-04 688 0.954E-02 0.226E-02
DAV: 16 -0.903240112690E+02 -0.16668E-02 -0.13921E-04 669 0.525E-02 0.122E-02
DAV: 17 -0.903249232708E+02 -0.91200E-03 -0.85206E-05 608 0.379E-02 0.614E-03
DAV: 18 -0.903251820243E+02 -0.25875E-03 -0.24505E-05 560 0.190E-02 0.472E-03
DAV: 19 -0.903252810740E+02 -0.99050E-04 -0.81783E-06 456 0.202E-02 0.286E-03
DAV: 20 -0.903253290808E+02 -0.48007E-04 -0.80173E-06 453 0.125E-02 0.311E-03
DAV: 21 -0.903253377769E+02 -0.86961E-05 -0.20506E-06 528 0.106E-02
1 F= -.90325338E+02 E0= -.90333909E+02 d E =0.257127E-01