iterations/neb0_image04_iter196_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 0.362974100904E+03 0.36297E+03 -0.14356E+04 640 0.799E+02
DAV: 2 0.151079676844E+01 -0.36146E+03 -0.34863E+03 853 0.193E+02
DAV: 3 -0.961294988300E+02 -0.97640E+02 -0.97343E+02 677 0.115E+02
DAV: 4 -0.100272479717E+03 -0.41430E+01 -0.41333E+01 688 0.273E+01
DAV: 5 -0.100351648608E+03 -0.79169E-01 -0.79139E-01 736 0.340E+00 0.223E+01
DAV: 6 -0.916518871414E+02 0.86998E+01 -0.31108E+01 706 0.298E+01 0.116E+01
DAV: 7 -0.907918945834E+02 0.85999E+00 -0.17913E+00 704 0.636E+00 0.483E+00
DAV: 8 -0.903824857227E+02 0.40941E+00 -0.56510E-01 704 0.438E+00 0.170E+00
DAV: 9 -0.902909501032E+02 0.91536E-01 -0.12230E-01 720 0.216E+00 0.538E-01
DAV: 10 -0.902776281608E+02 0.13322E-01 -0.39413E-02 712 0.993E-01 0.388E-01
DAV: 11 -0.902799848276E+02 -0.23567E-02 -0.15946E-02 768 0.994E-01 0.357E-01
DAV: 12 -0.902800929439E+02 -0.10812E-03 -0.57617E-03 696 0.691E-01 0.132E-01
DAV: 13 -0.902845685565E+02 -0.44756E-02 -0.42413E-03 620 0.346E-01 0.118E-01
DAV: 14 -0.902876477032E+02 -0.30791E-02 -0.77429E-04 640 0.230E-01 0.733E-02
DAV: 15 -0.902914675200E+02 -0.38198E-02 -0.81696E-04 650 0.184E-01 0.330E-02
DAV: 16 -0.902928621862E+02 -0.13947E-02 -0.26151E-04 696 0.815E-02 0.257E-02
DAV: 17 -0.902944590918E+02 -0.15969E-02 -0.27010E-04 652 0.983E-02 0.189E-02
DAV: 18 -0.902950504519E+02 -0.59136E-03 -0.72367E-05 680 0.568E-02 0.141E-02
DAV: 19 -0.902952545129E+02 -0.20406E-03 -0.61591E-05 688 0.420E-02 0.129E-02
DAV: 20 -0.902953647383E+02 -0.11023E-03 -0.17191E-05 514 0.319E-02 0.443E-03
DAV: 21 -0.902954400346E+02 -0.75296E-04 -0.16496E-05 428 0.239E-02 0.508E-03
DAV: 22 -0.902954889417E+02 -0.48907E-04 -0.90098E-06 447 0.129E-02 0.548E-03
DAV: 23 -0.902954934936E+02 -0.45519E-05 -0.15017E-06 520 0.102E-02
1 F= -.90295493E+02 E0= -.90303869E+02 d E =0.251257E-01