./iterations/neb0_image01_iter151_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 0.365809595132E+03 0.36581E+03 -0.14299E+04 624 0.799E+02
DAV: 2 0.323742203235E+01 -0.36257E+03 -0.34970E+03 836 0.196E+02
DAV: 3 -0.955217227211E+02 -0.98759E+02 -0.98409E+02 658 0.116E+02
DAV: 4 -0.100210040413E+03 -0.46883E+01 -0.46772E+01 696 0.291E+01
DAV: 5 -0.100303951339E+03 -0.93911E-01 -0.93862E-01 728 0.369E+00 0.222E+01
DAV: 6 -0.916768773950E+02 0.86271E+01 -0.31000E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908754656200E+02 0.80141E+00 -0.18317E+00 712 0.639E+00 0.484E+00
DAV: 8 -0.905007380861E+02 0.37473E+00 -0.55264E-01 704 0.428E+00 0.167E+00
DAV: 9 -0.904190411117E+02 0.81697E-01 -0.13117E-01 720 0.168E+00 0.424E-01
DAV: 10 -0.904145441181E+02 0.44970E-02 -0.47598E-02 712 0.124E+00 0.325E-01
DAV: 11 -0.904187541752E+02 -0.42101E-02 -0.86041E-03 608 0.617E-01 0.116E-01
DAV: 12 -0.904218937489E+02 -0.31396E-02 -0.60967E-03 632 0.414E-01 0.128E-01
DAV: 13 -0.904244987431E+02 -0.26050E-02 -0.13953E-03 845 0.293E-01 0.786E-02
DAV: 14 -0.904277961436E+02 -0.32974E-02 -0.17048E-03 650 0.217E-01 0.753E-02
DAV: 15 -0.904292397034E+02 -0.14436E-02 -0.29551E-04 784 0.124E-01 0.548E-02
DAV: 16 -0.904305481871E+02 -0.13085E-02 -0.10756E-03 661 0.202E-01 0.384E-02
DAV: 17 -0.904314119518E+02 -0.86376E-03 -0.16083E-04 730 0.837E-02 0.314E-02
DAV: 18 -0.904316483574E+02 -0.23641E-03 -0.38902E-05 696 0.321E-02 0.223E-02
DAV: 19 -0.904319366474E+02 -0.28829E-03 -0.10112E-04 638 0.601E-02 0.761E-03
DAV: 20 -0.904319674781E+02 -0.30831E-04 -0.16097E-05 528 0.261E-02 0.698E-03
DAV: 21 -0.904320141344E+02 -0.46656E-04 -0.12636E-05 410 0.216E-02 0.792E-03
DAV: 22 -0.904320342973E+02 -0.20163E-04 -0.38777E-06 474 0.144E-02 0.555E-03
DAV: 23 -0.904320416066E+02 -0.73093E-05 -0.85391E-06 456 0.183E-02
1 F= -.90432042E+02 E0= -.90438557E+02 d E =0.195456E-01