./iterations/neb0_image09_iter279_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 0.374029968522E+03 0.37403E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.327577934432E+01 -0.37075E+03 -0.35809E+03 869 0.196E+02
DAV: 3 -0.967598913763E+02 -0.10004E+03 -0.99710E+02 664 0.117E+02
DAV: 4 -0.101289982561E+03 -0.45301E+01 -0.45194E+01 720 0.287E+01
DAV: 5 -0.101378711338E+03 -0.88729E-01 -0.88691E-01 728 0.364E+00 0.227E+01
DAV: 6 -0.926879944282E+02 0.86907E+01 -0.30989E+01 728 0.301E+01 0.119E+01
DAV: 7 -0.918126997858E+02 0.87529E+00 -0.17169E+00 720 0.613E+00 0.480E+00
DAV: 8 -0.914356926052E+02 0.37701E+00 -0.54791E-01 704 0.397E+00 0.162E+00
DAV: 9 -0.913550856908E+02 0.80607E-01 -0.13121E-01 720 0.154E+00 0.422E-01
DAV: 10 -0.913468018614E+02 0.82838E-02 -0.45337E-02 744 0.109E+00 0.304E-01
DAV: 11 -0.913514840081E+02 -0.46821E-02 -0.13406E-02 608 0.601E-01 0.144E-01
DAV: 12 -0.913545146893E+02 -0.30307E-02 -0.29083E-03 620 0.229E-01 0.116E-01
DAV: 13 -0.913582214932E+02 -0.37068E-02 -0.22597E-03 685 0.255E-01 0.475E-02
DAV: 14 -0.913614726278E+02 -0.32511E-02 -0.56105E-04 664 0.126E-01 0.267E-02
DAV: 15 -0.913629580179E+02 -0.14854E-02 -0.11980E-04 664 0.571E-02 0.232E-02
DAV: 16 -0.913641687192E+02 -0.12107E-02 -0.23449E-04 645 0.743E-02 0.170E-02
DAV: 17 -0.913643369290E+02 -0.16821E-03 -0.20015E-05 520 0.364E-02 0.126E-02
DAV: 18 -0.913645840150E+02 -0.24709E-03 -0.80104E-05 618 0.475E-02 0.119E-02
DAV: 19 -0.913646350858E+02 -0.51071E-04 -0.11184E-05 512 0.286E-02 0.560E-03
DAV: 20 -0.913646685606E+02 -0.33475E-04 -0.17803E-05 424 0.238E-02 0.327E-03
DAV: 21 -0.913646855483E+02 -0.16988E-04 -0.42857E-06 472 0.101E-02 0.416E-03
DAV: 22 -0.913646907109E+02 -0.51626E-05 -0.99862E-07 440 0.704E-03
1 F= -.91364691E+02 E0= -.91369400E+02 d E =0.141273E-01