iterations/neb0_image05_iter228_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 0.366383939150E+03 0.36638E+03 -0.14288E+04 624 0.799E+02
DAV: 2 0.265379845772E+01 -0.36373E+03 -0.35037E+03 864 0.195E+02
DAV: 3 -0.953793585531E+02 -0.98033E+02 -0.97689E+02 669 0.116E+02
DAV: 4 -0.998816857570E+02 -0.45023E+01 -0.44921E+01 712 0.282E+01
DAV: 5 -0.999724342151E+02 -0.90748E-01 -0.90705E-01 728 0.356E+00 0.220E+01
DAV: 6 -0.915020167956E+02 0.84704E+01 -0.30641E+01 704 0.297E+01 0.116E+01
DAV: 7 -0.906935292568E+02 0.80849E+00 -0.17228E+00 720 0.630E+00 0.482E+00
DAV: 8 -0.903173798047E+02 0.37615E+00 -0.54704E-01 720 0.430E+00 0.165E+00
DAV: 9 -0.902330060168E+02 0.84374E-01 -0.13144E-01 704 0.171E+00 0.432E-01
DAV: 10 -0.902254947745E+02 0.75112E-02 -0.40446E-02 736 0.116E+00 0.310E-01
DAV: 11 -0.902284649922E+02 -0.29702E-02 -0.54831E-03 608 0.456E-01 0.136E-01
DAV: 12 -0.902314081169E+02 -0.29431E-02 -0.59531E-03 616 0.441E-01 0.125E-01
DAV: 13 -0.902338809537E+02 -0.24728E-02 -0.12615E-03 850 0.252E-01 0.685E-02
DAV: 14 -0.902378071054E+02 -0.39262E-02 -0.14400E-03 631 0.197E-01 0.560E-02
DAV: 15 -0.902398332999E+02 -0.20262E-02 -0.27704E-04 704 0.101E-01 0.421E-02
DAV: 16 -0.902417980641E+02 -0.19648E-02 -0.71325E-04 653 0.164E-01 0.333E-02
DAV: 17 -0.902423569040E+02 -0.55884E-03 -0.91681E-05 768 0.703E-02 0.270E-02
DAV: 18 -0.902426765668E+02 -0.31966E-03 -0.90126E-05 672 0.571E-02 0.115E-02
DAV: 19 -0.902430022651E+02 -0.32570E-03 -0.54262E-05 636 0.369E-02 0.725E-03
DAV: 20 -0.902431054282E+02 -0.10316E-03 -0.59065E-06 496 0.119E-02 0.636E-03
DAV: 21 -0.902431597016E+02 -0.54273E-04 -0.14697E-05 463 0.234E-02 0.220E-03
DAV: 22 -0.902431655680E+02 -0.58664E-05 -0.42510E-06 504 0.114E-02
1 F= -.90243166E+02 E0= -.90251877E+02 d E =0.261331E-01