./iterations/neb0_image05_iter269_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 0.367162469001E+03 0.36716E+03 -0.14303E+04 624 0.799E+02
DAV: 2 0.392086781467E+01 -0.36324E+03 -0.34971E+03 850 0.195E+02
DAV: 3 -0.955038976915E+02 -0.99425E+02 -0.99084E+02 658 0.116E+02
DAV: 4 -0.100151432037E+03 -0.46475E+01 -0.46357E+01 704 0.292E+01
DAV: 5 -0.100241478697E+03 -0.90047E-01 -0.90002E-01 736 0.367E+00 0.222E+01
DAV: 6 -0.916077916184E+02 0.86337E+01 -0.31283E+01 688 0.300E+01 0.117E+01
DAV: 7 -0.907845040682E+02 0.82329E+00 -0.17415E+00 712 0.626E+00 0.483E+00
DAV: 8 -0.904049374354E+02 0.37957E+00 -0.55887E-01 728 0.430E+00 0.166E+00
DAV: 9 -0.903184211392E+02 0.86516E-01 -0.12646E-01 728 0.169E+00 0.433E-01
DAV: 10 -0.903111118247E+02 0.73093E-02 -0.45845E-02 728 0.120E+00 0.321E-01
DAV: 11 -0.903151416141E+02 -0.40298E-02 -0.92162E-03 608 0.621E-01 0.123E-01
DAV: 12 -0.903174856929E+02 -0.23441E-02 -0.58574E-03 620 0.374E-01 0.135E-01
DAV: 13 -0.903203546829E+02 -0.28690E-02 -0.23471E-03 853 0.354E-01 0.823E-02
DAV: 14 -0.903245336095E+02 -0.41789E-02 -0.16266E-03 635 0.184E-01 0.729E-02
DAV: 15 -0.903265491813E+02 -0.20156E-02 -0.31302E-04 824 0.119E-01 0.407E-02
DAV: 16 -0.903287616657E+02 -0.22125E-02 -0.12913E-03 647 0.219E-01 0.563E-02
DAV: 17 -0.903291235791E+02 -0.36191E-03 -0.19907E-04 760 0.942E-02 0.366E-02
DAV: 18 -0.903292565697E+02 -0.13299E-03 -0.41853E-05 680 0.367E-02 0.261E-02
DAV: 19 -0.903296620499E+02 -0.40548E-03 -0.18747E-04 657 0.851E-02 0.116E-02
DAV: 20 -0.903297020352E+02 -0.39985E-04 -0.21484E-05 576 0.334E-02 0.875E-03
DAV: 21 -0.903297472583E+02 -0.45223E-04 -0.16346E-05 469 0.227E-02 0.546E-03
DAV: 22 -0.903297652272E+02 -0.17969E-04 -0.22359E-06 488 0.856E-03 0.476E-03
DAV: 23 -0.903297742455E+02 -0.90183E-05 -0.24950E-06 403 0.912E-03
1 F= -.90329774E+02 E0= -.90334589E+02 d E =0.144443E-01