./iterations/neb0_image03_iter7_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 0.364018091926E+03 0.36402E+03 -0.14258E+04 624 0.799E+02
DAV: 2 0.438844524530E+01 -0.35963E+03 -0.34725E+03 850 0.194E+02
DAV: 3 -0.938650331880E+02 -0.98253E+02 -0.97859E+02 656 0.116E+02
DAV: 4 -0.985385542798E+02 -0.46735E+01 -0.46595E+01 704 0.289E+01
DAV: 5 -0.986371459043E+02 -0.98592E-01 -0.98543E-01 728 0.371E+00 0.217E+01
DAV: 6 -0.898980164531E+02 0.87391E+01 -0.31916E+01 712 0.304E+01 0.113E+01
DAV: 7 -0.891398737381E+02 0.75814E+00 -0.17640E+00 720 0.650E+00 0.479E+00
DAV: 8 -0.887647637784E+02 0.37511E+00 -0.59308E-01 688 0.430E+00 0.175E+00
DAV: 9 -0.886721435925E+02 0.92620E-01 -0.14287E-01 712 0.178E+00 0.446E-01
DAV: 10 -0.886649477403E+02 0.71959E-02 -0.31366E-02 760 0.856E-01 0.303E-01
DAV: 11 -0.886698460748E+02 -0.48983E-02 -0.18334E-02 605 0.854E-01 0.208E-01
DAV: 12 -0.886701490454E+02 -0.30297E-03 -0.40385E-03 744 0.415E-01 0.145E-01
DAV: 13 -0.886743711331E+02 -0.42221E-02 -0.84339E-03 615 0.620E-01 0.127E-01
DAV: 14 -0.886761353985E+02 -0.17643E-02 -0.12613E-03 679 0.238E-01 0.888E-02
DAV: 15 -0.886783374099E+02 -0.22020E-02 -0.17389E-03 672 0.237E-01 0.320E-02
DAV: 16 -0.886802573389E+02 -0.19199E-02 -0.22944E-04 666 0.969E-02 0.214E-02
DAV: 17 -0.886813421774E+02 -0.10848E-02 -0.12536E-04 677 0.477E-02 0.110E-02
DAV: 18 -0.886818616515E+02 -0.51947E-03 -0.65863E-05 597 0.382E-02 0.740E-03
DAV: 19 -0.886820283154E+02 -0.16666E-03 -0.12879E-05 493 0.220E-02 0.502E-03
DAV: 20 -0.886820839157E+02 -0.55600E-04 -0.13875E-05 466 0.190E-02 0.374E-03
DAV: 21 -0.886821154315E+02 -0.31516E-04 -0.39918E-06 439 0.157E-02 0.985E-04
DAV: 22 -0.886821339882E+02 -0.18557E-04 -0.50253E-06 460 0.105E-02 0.265E-03
DAV: 23 -0.886821367324E+02 -0.27442E-05 -0.88738E-07 520 0.782E-03
1 F= -.88682137E+02 E0= -.88686274E+02 d E =0.124116E-01