iterations/neb0_image07_iter116_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 0.377388676083E+03 0.37739E+03 -0.14284E+04 624 0.799E+02
DAV: 2 0.415491578707E+01 -0.37323E+03 -0.35972E+03 869 0.196E+02
DAV: 3 -0.963902245331E+02 -0.10055E+03 -0.10021E+03 664 0.117E+02
DAV: 4 -0.101036244362E+03 -0.46460E+01 -0.46340E+01 704 0.288E+01
DAV: 5 -0.101128993495E+03 -0.92749E-01 -0.92710E-01 728 0.366E+00 0.228E+01
DAV: 6 -0.924773949503E+02 0.86516E+01 -0.30714E+01 693 0.303E+01 0.119E+01
DAV: 7 -0.916068136038E+02 0.87058E+00 -0.16761E+00 736 0.613E+00 0.481E+00
DAV: 8 -0.912267603452E+02 0.38005E+00 -0.54828E-01 712 0.399E+00 0.163E+00
DAV: 9 -0.911433061338E+02 0.83454E-01 -0.13268E-01 720 0.156E+00 0.423E-01
DAV: 10 -0.911341241764E+02 0.91820E-02 -0.48544E-02 741 0.114E+00 0.313E-01
DAV: 11 -0.911389071231E+02 -0.47829E-02 -0.14348E-02 616 0.629E-01 0.150E-01
DAV: 12 -0.911418016514E+02 -0.28945E-02 -0.33011E-03 631 0.255E-01 0.145E-01
DAV: 13 -0.911457970681E+02 -0.39954E-02 -0.32813E-03 722 0.339E-01 0.614E-02
DAV: 14 -0.911482492545E+02 -0.24522E-02 -0.49712E-04 656 0.109E-01 0.573E-02
DAV: 15 -0.911508183994E+02 -0.25691E-02 -0.36765E-04 629 0.923E-02 0.288E-02
DAV: 16 -0.911517158337E+02 -0.89743E-03 -0.32842E-04 688 0.888E-02 0.307E-02
DAV: 17 -0.911521721386E+02 -0.45630E-03 -0.11546E-04 640 0.658E-02 0.964E-03
DAV: 18 -0.911523418032E+02 -0.16966E-03 -0.21282E-05 504 0.259E-02 0.692E-03
DAV: 19 -0.911523941140E+02 -0.52311E-04 -0.11399E-05 480 0.192E-02 0.277E-03
DAV: 20 -0.911524373548E+02 -0.43241E-04 -0.40987E-06 404 0.106E-02 0.144E-03
DAV: 21 -0.911524495928E+02 -0.12238E-04 -0.21979E-06 469 0.628E-03 0.178E-03
DAV: 22 -0.911524523266E+02 -0.27338E-05 -0.46054E-07 512 0.400E-03
1 F= -.91152452E+02 E0= -.91157530E+02 d E =0.152343E-01