iterations/neb0_image05_iter110_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 0.372771892117E+03 0.37277E+03 -0.14302E+04 632 0.799E+02
DAV: 2 0.367492623667E+01 -0.36910E+03 -0.35680E+03 882 0.194E+02
DAV: 3 -0.940801851042E+02 -0.97755E+02 -0.97392E+02 629 0.116E+02
DAV: 4 -0.987950840586E+02 -0.47149E+01 -0.47026E+01 704 0.301E+01
DAV: 5 -0.988963938604E+02 -0.10131E+00 -0.10125E+00 720 0.391E+00 0.219E+01
DAV: 6 -0.905539886338E+02 0.83424E+01 -0.28653E+01 682 0.288E+01 0.112E+01
DAV: 7 -0.896776991192E+02 0.87629E+00 -0.18069E+00 736 0.669E+00 0.469E+00
DAV: 8 -0.892880258090E+02 0.38967E+00 -0.62270E-01 704 0.447E+00 0.157E+00
DAV: 9 -0.892055185464E+02 0.82507E-01 -0.12548E-01 728 0.167E+00 0.447E-01
DAV: 10 -0.891939195944E+02 0.11599E-01 -0.50577E-02 736 0.121E+00 0.343E-01
DAV: 11 -0.891956028511E+02 -0.16833E-02 -0.12051E-02 656 0.633E-01 0.124E-01
DAV: 12 -0.891972850769E+02 -0.16822E-02 -0.33430E-03 677 0.317E-01 0.126E-01
DAV: 13 -0.892029866319E+02 -0.57016E-02 -0.29739E-03 671 0.371E-01 0.731E-02
DAV: 14 -0.892056418517E+02 -0.26552E-02 -0.85238E-04 696 0.150E-01 0.547E-02
DAV: 15 -0.892086357357E+02 -0.29939E-02 -0.10101E-03 623 0.187E-01 0.362E-02
DAV: 16 -0.892096689319E+02 -0.10332E-02 -0.12841E-04 720 0.733E-02 0.244E-02
DAV: 17 -0.892107735367E+02 -0.11046E-02 -0.20331E-04 625 0.719E-02 0.104E-02
DAV: 18 -0.892112619581E+02 -0.48842E-03 -0.46302E-05 605 0.368E-02 0.637E-03
DAV: 19 -0.892113970389E+02 -0.13508E-03 -0.11587E-05 504 0.182E-02 0.364E-03
DAV: 20 -0.892114985872E+02 -0.10155E-03 -0.18325E-05 467 0.208E-02 0.473E-03
DAV: 21 -0.892115199293E+02 -0.21342E-04 -0.29422E-06 488 0.999E-03 0.330E-03
DAV: 22 -0.892115269981E+02 -0.70688E-05 -0.38718E-06 448 0.114E-02
1 F= -.89211527E+02 E0= -.89215416E+02 d E =0.116668E-01