iterations/neb0_image02_iter51_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 0.368158672204E+03 0.36816E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.463289192611E+01 -0.36353E+03 -0.34872E+03 834 0.195E+02
DAV: 3 -0.956570073863E+02 -0.10029E+03 -0.99955E+02 680 0.116E+02
DAV: 4 -0.100184212259E+03 -0.45272E+01 -0.45169E+01 696 0.283E+01
DAV: 5 -0.100271876182E+03 -0.87664E-01 -0.87622E-01 736 0.354E+00 0.222E+01
DAV: 6 -0.916467577336E+02 0.86251E+01 -0.31006E+01 696 0.300E+01 0.117E+01
DAV: 7 -0.908233461332E+02 0.82341E+00 -0.18362E+00 704 0.634E+00 0.484E+00
DAV: 8 -0.904350042436E+02 0.38834E+00 -0.55938E-01 696 0.428E+00 0.169E+00
DAV: 9 -0.903435346639E+02 0.91470E-01 -0.14086E-01 704 0.167E+00 0.436E-01
DAV: 10 -0.903368246407E+02 0.67100E-02 -0.45992E-02 704 0.126E+00 0.319E-01
DAV: 11 -0.903405707553E+02 -0.37461E-02 -0.71878E-03 605 0.479E-01 0.146E-01
DAV: 12 -0.903439164059E+02 -0.33457E-02 -0.66678E-03 621 0.454E-01 0.126E-01
DAV: 13 -0.903467506402E+02 -0.28342E-02 -0.12940E-03 936 0.312E-01 0.776E-02
DAV: 14 -0.903498894325E+02 -0.31388E-02 -0.13392E-03 629 0.176E-01 0.549E-02
DAV: 15 -0.903523188034E+02 -0.24294E-02 -0.42654E-04 685 0.122E-01 0.400E-02
DAV: 16 -0.903536555595E+02 -0.13368E-02 -0.57315E-04 656 0.131E-01 0.329E-02
DAV: 17 -0.903545364990E+02 -0.88094E-03 -0.18526E-04 850 0.918E-02 0.172E-02
DAV: 18 -0.903546595616E+02 -0.12306E-03 -0.30872E-05 656 0.321E-02 0.102E-02
DAV: 19 -0.903549141823E+02 -0.25462E-03 -0.45753E-05 577 0.338E-02 0.486E-03
DAV: 20 -0.903549455983E+02 -0.31416E-04 -0.30444E-06 480 0.104E-02 0.472E-03
DAV: 21 -0.903550026164E+02 -0.57018E-04 -0.85212E-06 397 0.178E-02 0.264E-03
DAV: 22 -0.903550163889E+02 -0.13772E-04 -0.42828E-06 477 0.985E-03 0.291E-03
DAV: 23 -0.903550187534E+02 -0.23646E-05 -0.82153E-07 496 0.591E-03
1 F= -.90355019E+02 E0= -.90360905E+02 d E =0.176576E-01