iterations/neb0_image01_iter224_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 0.365367432924E+03 0.36537E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.321734588715E+01 -0.36215E+03 -0.34907E+03 839 0.196E+02
DAV: 3 -0.954164987720E+02 -0.98634E+02 -0.98290E+02 645 0.116E+02
DAV: 4 -0.100214688905E+03 -0.47982E+01 -0.47865E+01 704 0.297E+01
DAV: 5 -0.100310586339E+03 -0.95897E-01 -0.95846E-01 728 0.376E+00 0.222E+01
DAV: 6 -0.916920298086E+02 0.86186E+01 -0.30926E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908892001415E+02 0.80283E+00 -0.18293E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905133780443E+02 0.37582E+00 -0.55238E-01 704 0.429E+00 0.167E+00
DAV: 9 -0.904305930708E+02 0.82785E-01 -0.13293E-01 712 0.165E+00 0.422E-01
DAV: 10 -0.904260229485E+02 0.45701E-02 -0.46969E-02 728 0.124E+00 0.321E-01
DAV: 11 -0.904300393195E+02 -0.40164E-02 -0.74078E-03 608 0.546E-01 0.124E-01
DAV: 12 -0.904335681366E+02 -0.35288E-02 -0.68647E-03 637 0.465E-01 0.135E-01
DAV: 13 -0.904359441573E+02 -0.23760E-02 -0.17259E-03 861 0.319E-01 0.747E-02
DAV: 14 -0.904390726670E+02 -0.31285E-02 -0.14326E-03 642 0.188E-01 0.672E-02
DAV: 15 -0.904407887407E+02 -0.17161E-02 -0.31893E-04 680 0.110E-01 0.546E-02
DAV: 16 -0.904421780420E+02 -0.13893E-02 -0.10361E-03 669 0.197E-01 0.367E-02
DAV: 17 -0.904429690196E+02 -0.79098E-03 -0.13473E-04 669 0.779E-02 0.328E-02
DAV: 18 -0.904432956114E+02 -0.32659E-03 -0.10355E-04 664 0.527E-02 0.149E-02
DAV: 19 -0.904434476822E+02 -0.15207E-03 -0.66620E-05 661 0.434E-02 0.899E-03
DAV: 20 -0.904434809352E+02 -0.33253E-04 -0.44447E-06 496 0.151E-02 0.938E-03
DAV: 21 -0.904435199911E+02 -0.39056E-04 -0.79941E-06 409 0.165E-02 0.567E-03
DAV: 22 -0.904435263637E+02 -0.63725E-05 -0.61401E-06 480 0.152E-02
1 F= -.90443526E+02 E0= -.90449149E+02 d E =0.168689E-01