./iterations/neb0_image02_iter26_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 0.367847175622E+03 0.36785E+03 -0.14299E+04 624 0.799E+02
DAV: 2 0.437184070065E+01 -0.36348E+03 -0.34899E+03 839 0.195E+02
DAV: 3 -0.955101605000E+02 -0.99882E+02 -0.99544E+02 672 0.116E+02
DAV: 4 -0.100084097792E+03 -0.45739E+01 -0.45630E+01 712 0.287E+01
DAV: 5 -0.100170608770E+03 -0.86511E-01 -0.86467E-01 736 0.357E+00 0.222E+01
DAV: 6 -0.914652634684E+02 0.87053E+01 -0.31142E+01 712 0.301E+01 0.117E+01
DAV: 7 -0.906528921732E+02 0.81237E+00 -0.18647E+00 712 0.631E+00 0.482E+00
DAV: 8 -0.902667735472E+02 0.38612E+00 -0.54778E-01 688 0.426E+00 0.173E+00
DAV: 9 -0.901711929743E+02 0.95581E-01 -0.14779E-01 696 0.172E+00 0.438E-01
DAV: 10 -0.901641246433E+02 0.70683E-02 -0.43364E-02 720 0.120E+00 0.310E-01
DAV: 11 -0.901679823097E+02 -0.38577E-02 -0.68012E-03 608 0.468E-01 0.137E-01
DAV: 12 -0.901713598038E+02 -0.33775E-02 -0.62594E-03 632 0.447E-01 0.126E-01
DAV: 13 -0.901738729626E+02 -0.25132E-02 -0.13055E-03 912 0.302E-01 0.691E-02
DAV: 14 -0.901773113902E+02 -0.34384E-02 -0.13116E-03 637 0.174E-01 0.513E-02
DAV: 15 -0.901794111637E+02 -0.20998E-02 -0.25703E-04 672 0.962E-02 0.364E-02
DAV: 16 -0.901810990341E+02 -0.16879E-02 -0.68735E-04 653 0.150E-01 0.375E-02
DAV: 17 -0.901817581077E+02 -0.65907E-03 -0.15579E-04 928 0.932E-02 0.180E-02
DAV: 18 -0.901819194980E+02 -0.16139E-03 -0.39089E-05 696 0.384E-02 0.967E-03
DAV: 19 -0.901821881462E+02 -0.26865E-03 -0.45784E-05 575 0.392E-02 0.586E-03
DAV: 20 -0.901822180440E+02 -0.29898E-04 -0.82986E-06 488 0.158E-02 0.713E-03
DAV: 21 -0.901822548826E+02 -0.36839E-04 -0.45764E-06 420 0.150E-02 0.331E-03
DAV: 22 -0.901822908857E+02 -0.36003E-04 -0.14846E-05 490 0.209E-02 0.531E-03
DAV: 23 -0.901822942004E+02 -0.33148E-05 -0.16367E-06 504 0.862E-03
1 F= -.90182294E+02 E0= -.90187821E+02 d E =0.165818E-01