iterations/neb0_image03_iter75_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 0.367677880248E+03 0.36768E+03 -0.14322E+04 632 0.799E+02
DAV: 2 0.298022590791E+01 -0.36470E+03 -0.35209E+03 853 0.195E+02
DAV: 3 -0.955822933571E+02 -0.98563E+02 -0.98244E+02 664 0.116E+02
DAV: 4 -0.100122971021E+03 -0.45407E+01 -0.45312E+01 720 0.287E+01
DAV: 5 -0.100211412127E+03 -0.88441E-01 -0.88405E-01 736 0.360E+00 0.223E+01
DAV: 6 -0.916183890752E+02 0.85930E+01 -0.30668E+01 696 0.296E+01 0.116E+01
DAV: 7 -0.907686194771E+02 0.84977E+00 -0.18384E+00 704 0.639E+00 0.482E+00
DAV: 8 -0.903648839025E+02 0.40374E+00 -0.56975E-01 704 0.433E+00 0.165E+00
DAV: 9 -0.902698596611E+02 0.95024E-01 -0.13930E-01 704 0.173E+00 0.439E-01
DAV: 10 -0.902620133776E+02 0.78463E-02 -0.46249E-02 712 0.115E+00 0.333E-01
DAV: 11 -0.902655019191E+02 -0.34885E-02 -0.68856E-03 621 0.551E-01 0.114E-01
DAV: 12 -0.902681205041E+02 -0.26186E-02 -0.46103E-03 623 0.300E-01 0.118E-01
DAV: 13 -0.902726744882E+02 -0.45540E-02 -0.20550E-03 840 0.366E-01 0.875E-02
DAV: 14 -0.902753152630E+02 -0.26408E-02 -0.80456E-04 664 0.142E-01 0.611E-02
DAV: 15 -0.902780044601E+02 -0.26892E-02 -0.83241E-04 661 0.171E-01 0.306E-02
DAV: 16 -0.902795700498E+02 -0.15656E-02 -0.21882E-04 680 0.803E-02 0.202E-02
DAV: 17 -0.902804001647E+02 -0.83011E-03 -0.95208E-05 645 0.425E-02 0.127E-02
DAV: 18 -0.902806813016E+02 -0.28114E-03 -0.42933E-05 616 0.327E-02 0.575E-03
DAV: 19 -0.902808092732E+02 -0.12797E-03 -0.10334E-05 466 0.175E-02 0.371E-03
DAV: 20 -0.902808617731E+02 -0.52500E-04 -0.62400E-06 458 0.118E-02 0.183E-03
DAV: 21 -0.902808918064E+02 -0.30033E-04 -0.42291E-06 426 0.872E-03 0.144E-03
DAV: 22 -0.902808973550E+02 -0.55486E-05 -0.84585E-07 504 0.499E-03
1 F= -.90280897E+02 E0= -.90289383E+02 d E =0.254571E-01