iterations/neb0_image02_iter94_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 0.365086154787E+03 0.36509E+03 -0.14329E+04 632 0.799E+02
DAV: 2 0.412968915465E+01 -0.36096E+03 -0.34627E+03 834 0.194E+02
DAV: 3 -0.955080240267E+02 -0.99638E+02 -0.99306E+02 669 0.116E+02
DAV: 4 -0.100183858412E+03 -0.46758E+01 -0.46649E+01 704 0.286E+01
DAV: 5 -0.100276103353E+03 -0.92245E-01 -0.92200E-01 728 0.359E+00 0.222E+01
DAV: 6 -0.916537671511E+02 0.86223E+01 -0.30960E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908346274754E+02 0.81914E+00 -0.18390E+00 704 0.633E+00 0.483E+00
DAV: 8 -0.904488110674E+02 0.38582E+00 -0.55416E-01 696 0.426E+00 0.170E+00
DAV: 9 -0.903579669478E+02 0.90844E-01 -0.13960E-01 704 0.166E+00 0.432E-01
DAV: 10 -0.903515157594E+02 0.64512E-02 -0.47551E-02 704 0.127E+00 0.322E-01
DAV: 11 -0.903552865136E+02 -0.37708E-02 -0.74236E-03 616 0.496E-01 0.142E-01
DAV: 12 -0.903586536671E+02 -0.33672E-02 -0.69422E-03 607 0.455E-01 0.130E-01
DAV: 13 -0.903613727466E+02 -0.27191E-02 -0.14480E-03 920 0.324E-01 0.786E-02
DAV: 14 -0.903644955683E+02 -0.31228E-02 -0.13793E-03 634 0.179E-01 0.576E-02
DAV: 15 -0.903667785888E+02 -0.22830E-02 -0.38881E-04 688 0.114E-01 0.428E-02
DAV: 16 -0.903681632873E+02 -0.13847E-02 -0.65327E-04 653 0.144E-01 0.332E-02
DAV: 17 -0.903690450160E+02 -0.88173E-03 -0.17201E-04 802 0.898E-02 0.194E-02
DAV: 18 -0.903691731047E+02 -0.12809E-03 -0.38598E-05 712 0.333E-02 0.108E-02
DAV: 19 -0.903694022017E+02 -0.22910E-03 -0.38067E-05 567 0.310E-02 0.372E-03
DAV: 20 -0.903694506004E+02 -0.48399E-04 -0.38410E-06 480 0.104E-02 0.422E-03
DAV: 21 -0.903695018677E+02 -0.51267E-04 -0.65296E-06 417 0.144E-02 0.307E-03
DAV: 22 -0.903695163985E+02 -0.14531E-04 -0.40862E-06 477 0.975E-03 0.273E-03
DAV: 23 -0.903695178699E+02 -0.14714E-05 -0.13589E-06 544 0.746E-03
1 F= -.90369518E+02 E0= -.90374969E+02 d E =0.163525E-01