iterations/neb0_image02_iter164_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 0.364147905628E+03 0.36415E+03 -0.14332E+04 632 0.799E+02
DAV: 2 0.188881532116E+01 -0.36226E+03 -0.35015E+03 853 0.195E+02
DAV: 3 -0.956389600347E+02 -0.97528E+02 -0.97191E+02 648 0.116E+02
DAV: 4 -0.100246036526E+03 -0.46071E+01 -0.45963E+01 728 0.291E+01
DAV: 5 -0.100336917975E+03 -0.90881E-01 -0.90852E-01 752 0.367E+00 0.222E+01
DAV: 6 -0.916809599460E+02 0.86560E+01 -0.30957E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908614345394E+02 0.81953E+00 -0.18526E+00 704 0.637E+00 0.484E+00
DAV: 8 -0.904799744722E+02 0.38146E+00 -0.55647E-01 696 0.432E+00 0.170E+00
DAV: 9 -0.903929280533E+02 0.87046E-01 -0.13747E-01 712 0.167E+00 0.431E-01
DAV: 10 -0.903873322990E+02 0.55958E-02 -0.49622E-02 704 0.128E+00 0.330E-01
DAV: 11 -0.903908563102E+02 -0.35240E-02 -0.75955E-03 616 0.563E-01 0.130E-01
DAV: 12 -0.903940480957E+02 -0.31918E-02 -0.74234E-03 640 0.446E-01 0.138E-01
DAV: 13 -0.903965860226E+02 -0.25379E-02 -0.20268E-03 880 0.359E-01 0.827E-02
DAV: 14 -0.903997536830E+02 -0.31677E-02 -0.14138E-03 642 0.174E-01 0.697E-02
DAV: 15 -0.904017226888E+02 -0.19690E-02 -0.35944E-04 669 0.109E-01 0.523E-02
DAV: 16 -0.904032090069E+02 -0.14863E-02 -0.10250E-03 672 0.186E-01 0.399E-02
DAV: 17 -0.904039606417E+02 -0.75163E-03 -0.17198E-04 800 0.905E-02 0.243E-02
DAV: 18 -0.904042621779E+02 -0.30154E-03 -0.75075E-05 680 0.398E-02 0.980E-03
DAV: 19 -0.904044164348E+02 -0.15426E-03 -0.40195E-05 661 0.330E-02 0.714E-03
DAV: 20 -0.904044389111E+02 -0.22476E-04 -0.37320E-06 520 0.135E-02 0.597E-03
DAV: 21 -0.904044919675E+02 -0.53056E-04 -0.10549E-05 414 0.174E-02 0.310E-03
DAV: 22 -0.904044991891E+02 -0.72216E-05 -0.38679E-06 480 0.115E-02
1 F= -.90404499E+02 E0= -.90411102E+02 d E =0.198096E-01