iterations/neb0_image09_iter4_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 0.370888379194E+03 0.37089E+03 -0.14266E+04 624 0.799E+02
DAV: 2 0.208180067962E+01 -0.36881E+03 -0.35626E+03 877 0.195E+02
DAV: 3 -0.964570013458E+02 -0.98539E+02 -0.98205E+02 664 0.116E+02
DAV: 4 -0.100959607103E+03 -0.45026E+01 -0.44910E+01 712 0.284E+01
DAV: 5 -0.101050669045E+03 -0.91062E-01 -0.91008E-01 736 0.364E+00 0.224E+01
DAV: 6 -0.924684697899E+02 0.85822E+01 -0.30834E+01 704 0.301E+01 0.117E+01
DAV: 7 -0.916130008218E+02 0.85547E+00 -0.16705E+00 728 0.627E+00 0.479E+00
DAV: 8 -0.912339283349E+02 0.37907E+00 -0.58091E-01 712 0.406E+00 0.163E+00
DAV: 9 -0.911516065362E+02 0.82322E-01 -0.13056E-01 704 0.162E+00 0.439E-01
DAV: 10 -0.911421780289E+02 0.94285E-02 -0.30427E-02 760 0.877E-01 0.272E-01
DAV: 11 -0.911462648475E+02 -0.40868E-02 -0.11686E-02 616 0.591E-01 0.167E-01
DAV: 12 -0.911483031296E+02 -0.20383E-02 -0.35036E-03 680 0.382E-01 0.866E-02
DAV: 13 -0.911526134967E+02 -0.43104E-02 -0.31620E-03 636 0.297E-01 0.878E-02
DAV: 14 -0.911541635569E+02 -0.15501E-02 -0.58795E-04 896 0.209E-01 0.380E-02
DAV: 15 -0.911570577744E+02 -0.28942E-02 -0.83717E-04 637 0.160E-01 0.422E-02
DAV: 16 -0.911586397402E+02 -0.15820E-02 -0.17828E-04 744 0.955E-02 0.225E-02
DAV: 17 -0.911597043692E+02 -0.10646E-02 -0.24363E-04 645 0.814E-02 0.158E-02
DAV: 18 -0.911601000646E+02 -0.39570E-03 -0.35740E-05 600 0.332E-02 0.115E-02
DAV: 19 -0.911602031403E+02 -0.10308E-03 -0.29414E-05 624 0.324E-02 0.365E-03
DAV: 20 -0.911602323925E+02 -0.29252E-04 -0.35641E-06 482 0.147E-02 0.165E-03
DAV: 21 -0.911602731900E+02 -0.40797E-04 -0.51503E-06 412 0.894E-03 0.173E-03
DAV: 22 -0.911602788697E+02 -0.56797E-05 -0.95602E-07 504 0.533E-03
1 F= -.91160279E+02 E0= -.91164935E+02 d E =0.139678E-01