iterations/neb0_image08_iter72_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 0.376731387830E+03 0.37673E+03 -0.14285E+04 624 0.799E+02
DAV: 2 0.386250436120E+01 -0.37287E+03 -0.35927E+03 869 0.196E+02
DAV: 3 -0.968492219996E+02 -0.10071E+03 -0.10038E+03 696 0.117E+02
DAV: 4 -0.101146664174E+03 -0.42974E+01 -0.42877E+01 696 0.272E+01
DAV: 5 -0.101230569538E+03 -0.83905E-01 -0.83869E-01 736 0.340E+00 0.228E+01
DAV: 6 -0.925799113493E+02 0.86507E+01 -0.30827E+01 701 0.302E+01 0.119E+01
DAV: 7 -0.917065882737E+02 0.87332E+00 -0.16986E+00 728 0.615E+00 0.481E+00
DAV: 8 -0.913255902311E+02 0.38100E+00 -0.55492E-01 704 0.402E+00 0.163E+00
DAV: 9 -0.912413709121E+02 0.84219E-01 -0.13091E-01 712 0.155E+00 0.426E-01
DAV: 10 -0.912318584395E+02 0.95125E-02 -0.48300E-02 720 0.114E+00 0.312E-01
DAV: 11 -0.912367058847E+02 -0.48474E-02 -0.15113E-02 624 0.637E-01 0.164E-01
DAV: 12 -0.912395285608E+02 -0.28227E-02 -0.31913E-03 626 0.247E-01 0.132E-01
DAV: 13 -0.912434917951E+02 -0.39632E-02 -0.25008E-03 677 0.283E-01 0.500E-02
DAV: 14 -0.912464677048E+02 -0.29759E-02 -0.48808E-04 656 0.118E-01 0.355E-02
DAV: 15 -0.912486806253E+02 -0.22129E-02 -0.19802E-04 653 0.588E-02 0.326E-02
DAV: 16 -0.912496626461E+02 -0.98202E-03 -0.24740E-04 669 0.772E-02 0.161E-02
DAV: 17 -0.912500735904E+02 -0.41094E-03 -0.33024E-05 565 0.322E-02 0.139E-02
DAV: 18 -0.912503181783E+02 -0.24459E-03 -0.47877E-05 645 0.310E-02 0.706E-03
DAV: 19 -0.912503475457E+02 -0.29367E-04 -0.44881E-06 528 0.177E-02 0.336E-03
DAV: 20 -0.912503852979E+02 -0.37752E-04 -0.10809E-05 395 0.194E-02 0.483E-03
DAV: 21 -0.912504012640E+02 -0.15966E-04 -0.25497E-06 472 0.101E-02 0.341E-03
DAV: 22 -0.912504037317E+02 -0.24677E-05 -0.33873E-06 512 0.119E-02
1 F= -.91250404E+02 E0= -.91255341E+02 d E =0.148126E-01