./iterations/neb0_image08_iter296_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 0.374726108941E+03 0.37473E+03 -0.14284E+04 624 0.799E+02
DAV: 2 0.369354450706E+01 -0.37103E+03 -0.35958E+03 877 0.195E+02
DAV: 3 -0.964954881297E+02 -0.10019E+03 -0.99846E+02 656 0.117E+02
DAV: 4 -0.101229517304E+03 -0.47340E+01 -0.47228E+01 704 0.295E+01
DAV: 5 -0.101322975295E+03 -0.93458E-01 -0.93418E-01 736 0.376E+00 0.227E+01
DAV: 6 -0.926435321090E+02 0.86794E+01 -0.30980E+01 714 0.302E+01 0.119E+01
DAV: 7 -0.917823020722E+02 0.86123E+00 -0.17143E+00 728 0.615E+00 0.479E+00
DAV: 8 -0.914088453505E+02 0.37346E+00 -0.53191E-01 728 0.393E+00 0.164E+00
DAV: 9 -0.913251435496E+02 0.83702E-01 -0.13005E-01 736 0.153E+00 0.423E-01
DAV: 10 -0.913161679987E+02 0.89756E-02 -0.45350E-02 749 0.108E+00 0.302E-01
DAV: 11 -0.913212472527E+02 -0.50793E-02 -0.14601E-02 605 0.628E-01 0.161E-01
DAV: 12 -0.913239440051E+02 -0.26968E-02 -0.27533E-03 628 0.229E-01 0.116E-01
DAV: 13 -0.913280059210E+02 -0.40619E-02 -0.32635E-03 628 0.295E-01 0.643E-02
DAV: 14 -0.913309546235E+02 -0.29487E-02 -0.85870E-04 688 0.173E-01 0.237E-02
DAV: 15 -0.913328456711E+02 -0.18910E-02 -0.22841E-04 648 0.672E-02 0.196E-02
DAV: 16 -0.913337110067E+02 -0.86534E-03 -0.98948E-05 677 0.604E-02 0.119E-02
DAV: 17 -0.913342374175E+02 -0.52641E-03 -0.74838E-05 640 0.371E-02 0.107E-02
DAV: 18 -0.913343374475E+02 -0.10003E-03 -0.11502E-05 512 0.272E-02 0.372E-03
DAV: 19 -0.913344503997E+02 -0.11295E-03 -0.26446E-05 492 0.243E-02 0.608E-03
DAV: 20 -0.913344572118E+02 -0.68121E-05 -0.15881E-06 528 0.101E-02
1 F= -.91334457E+02 E0= -.91339240E+02 d E =0.143487E-01