iterations/neb0_image05_iter113_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 0.372340363165E+03 0.37234E+03 -0.14298E+04 632 0.799E+02
DAV: 2 0.369789145864E+01 -0.36864E+03 -0.35645E+03 882 0.194E+02
DAV: 3 -0.940669090796E+02 -0.97765E+02 -0.97399E+02 629 0.116E+02
DAV: 4 -0.987939362254E+02 -0.47270E+01 -0.47145E+01 704 0.301E+01
DAV: 5 -0.988956392009E+02 -0.10170E+00 -0.10164E+00 728 0.392E+00 0.218E+01
DAV: 6 -0.905637679675E+02 0.83319E+01 -0.28685E+01 677 0.288E+01 0.112E+01
DAV: 7 -0.896911718171E+02 0.87260E+00 -0.17934E+00 736 0.667E+00 0.469E+00
DAV: 8 -0.893007962394E+02 0.39038E+00 -0.62316E-01 704 0.448E+00 0.156E+00
DAV: 9 -0.892185649157E+02 0.82231E-01 -0.12506E-01 728 0.166E+00 0.446E-01
DAV: 10 -0.892070789865E+02 0.11486E-01 -0.51816E-02 733 0.123E+00 0.345E-01
DAV: 11 -0.892088800800E+02 -0.18011E-02 -0.12121E-02 656 0.631E-01 0.123E-01
DAV: 12 -0.892106135977E+02 -0.17335E-02 -0.34089E-03 663 0.313E-01 0.126E-01
DAV: 13 -0.892162835857E+02 -0.56700E-02 -0.28117E-03 682 0.364E-01 0.716E-02
DAV: 14 -0.892188575394E+02 -0.25740E-02 -0.85215E-04 680 0.146E-01 0.550E-02
DAV: 15 -0.892218062986E+02 -0.29488E-02 -0.90168E-04 637 0.177E-01 0.335E-02
DAV: 16 -0.892229010842E+02 -0.10948E-02 -0.12820E-04 704 0.675E-02 0.242E-02
DAV: 17 -0.892239887405E+02 -0.10877E-02 -0.18466E-04 660 0.677E-02 0.108E-02
DAV: 18 -0.892244411527E+02 -0.45241E-03 -0.50133E-05 653 0.364E-02 0.743E-03
DAV: 19 -0.892245543893E+02 -0.11324E-03 -0.90711E-06 496 0.176E-02 0.416E-03
DAV: 20 -0.892246597052E+02 -0.10532E-03 -0.23279E-05 487 0.250E-02 0.651E-03
DAV: 21 -0.892246882908E+02 -0.28586E-04 -0.45384E-06 488 0.132E-02 0.367E-03
DAV: 22 -0.892246951212E+02 -0.68304E-05 -0.51991E-06 472 0.122E-02
1 F= -.89224695E+02 E0= -.89228676E+02 d E =0.119427E-01