iterations/neb0_image04_iter42_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 0.373185320516E+03 0.37319E+03 -0.14331E+04 632 0.799E+02
DAV: 2 0.480766416587E+01 -0.36838E+03 -0.35643E+03 869 0.195E+02
DAV: 3 -0.948556496317E+02 -0.99663E+02 -0.99319E+02 645 0.117E+02
DAV: 4 -0.995868463952E+02 -0.47312E+01 -0.47120E+01 720 0.298E+01
DAV: 5 -0.996791579153E+02 -0.92312E-01 -0.92273E-01 728 0.377E+00 0.225E+01
DAV: 6 -0.910544878638E+02 0.86247E+01 -0.30096E+01 706 0.297E+01 0.117E+01
DAV: 7 -0.901847593991E+02 0.86973E+00 -0.17932E+00 704 0.632E+00 0.484E+00
DAV: 8 -0.897852654817E+02 0.39949E+00 -0.56884E-01 712 0.438E+00 0.171E+00
DAV: 9 -0.896939265349E+02 0.91339E-01 -0.13537E-01 728 0.186E+00 0.529E-01
DAV: 10 -0.896832655848E+02 0.10661E-01 -0.20659E-02 720 0.745E-01 0.327E-01
DAV: 11 -0.896830041788E+02 0.26141E-03 -0.13370E-02 664 0.621E-01 0.197E-01
DAV: 12 -0.896854914605E+02 -0.24873E-02 -0.25630E-03 672 0.334E-01 0.120E-01
DAV: 13 -0.896901798214E+02 -0.46884E-02 -0.39561E-03 617 0.366E-01 0.107E-01
DAV: 14 -0.896927750685E+02 -0.25952E-02 -0.89152E-04 672 0.197E-01 0.524E-02
DAV: 15 -0.896960713336E+02 -0.32963E-02 -0.99429E-04 633 0.186E-01 0.431E-02
DAV: 16 -0.896976735301E+02 -0.16022E-02 -0.17338E-04 829 0.969E-02 0.218E-02
DAV: 17 -0.896990909698E+02 -0.14174E-02 -0.26432E-04 674 0.812E-02 0.188E-02
DAV: 18 -0.896996035340E+02 -0.51256E-03 -0.35536E-05 629 0.417E-02 0.119E-02
DAV: 19 -0.896999250012E+02 -0.32147E-03 -0.87592E-05 650 0.556E-02 0.120E-02
DAV: 20 -0.897000143893E+02 -0.89388E-04 -0.11656E-05 485 0.305E-02 0.611E-03
DAV: 21 -0.897000644335E+02 -0.50044E-04 -0.15349E-05 453 0.210E-02 0.235E-03
DAV: 22 -0.897001027269E+02 -0.38293E-04 -0.43404E-06 428 0.943E-03 0.184E-03
DAV: 23 -0.897001224637E+02 -0.19737E-04 -0.23540E-06 441 0.678E-03 0.102E-03
DAV: 24 -0.897001256855E+02 -0.32219E-05 -0.11292E-06 520 0.606E-03
1 F= -.89700126E+02 E0= -.89712034E+02 d E =0.357247E-01