./iterations/neb0_image01_iter271_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 0.362326473470E+03 0.36233E+03 -0.14327E+04 632 0.799E+02
DAV: 2 0.350310916902E+01 -0.35882E+03 -0.34563E+03 823 0.195E+02
DAV: 3 -0.955633639552E+02 -0.99066E+02 -0.98722E+02 672 0.115E+02
DAV: 4 -0.100198367554E+03 -0.46350E+01 -0.46227E+01 704 0.285E+01
DAV: 5 -0.100287678347E+03 -0.89311E-01 -0.89270E-01 728 0.357E+00 0.222E+01
DAV: 6 -0.916899363336E+02 0.85977E+01 -0.30954E+01 677 0.299E+01 0.116E+01
DAV: 7 -0.908917481362E+02 0.79819E+00 -0.18379E+00 720 0.638E+00 0.483E+00
DAV: 8 -0.905148777275E+02 0.37687E+00 -0.55130E-01 696 0.429E+00 0.169E+00
DAV: 9 -0.904298649714E+02 0.85013E-01 -0.13572E-01 720 0.164E+00 0.426E-01
DAV: 10 -0.904248602622E+02 0.50047E-02 -0.45253E-02 701 0.124E+00 0.316E-01
DAV: 11 -0.904286272150E+02 -0.37670E-02 -0.64311E-03 608 0.486E-01 0.141E-01
DAV: 12 -0.904322355373E+02 -0.36083E-02 -0.73994E-03 620 0.502E-01 0.134E-01
DAV: 13 -0.904348298361E+02 -0.25943E-02 -0.17382E-03 904 0.327E-01 0.754E-02
DAV: 14 -0.904378721520E+02 -0.30423E-02 -0.12889E-03 642 0.170E-01 0.596E-02
DAV: 15 -0.904398486414E+02 -0.19765E-02 -0.37175E-04 680 0.110E-01 0.465E-02
DAV: 16 -0.904413565832E+02 -0.15079E-02 -0.85672E-04 666 0.173E-01 0.362E-02
DAV: 17 -0.904420588169E+02 -0.70223E-03 -0.12855E-04 704 0.809E-02 0.263E-02
DAV: 18 -0.904423260372E+02 -0.26722E-03 -0.11176E-04 653 0.541E-02 0.860E-03
DAV: 19 -0.904424777540E+02 -0.15172E-03 -0.28307E-05 525 0.269E-02 0.644E-03
DAV: 20 -0.904425110632E+02 -0.33309E-04 -0.46360E-06 488 0.140E-02 0.776E-03
DAV: 21 -0.904425503592E+02 -0.39296E-04 -0.79646E-06 401 0.186E-02 0.413E-03
DAV: 22 -0.904425561335E+02 -0.57743E-05 -0.60585E-06 480 0.141E-02
1 F= -.90442556E+02 E0= -.90448384E+02 d E =0.174841E-01