iterations/neb0_image02_iter262_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 0.366381563117E+03 0.36638E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.759072598858E+00 -0.36562E+03 -0.35498E+03 869 0.196E+02
DAV: 3 -0.956121169090E+02 -0.96371E+02 -0.96042E+02 621 0.116E+02
DAV: 4 -0.100269385841E+03 -0.46573E+01 -0.46473E+01 712 0.299E+01
DAV: 5 -0.100362459426E+03 -0.93074E-01 -0.93041E-01 736 0.379E+00 0.222E+01
DAV: 6 -0.916799736662E+02 0.86825E+01 -0.30952E+01 680 0.300E+01 0.117E+01
DAV: 7 -0.908549007540E+02 0.82507E+00 -0.18195E+00 720 0.635E+00 0.485E+00
DAV: 8 -0.904740971431E+02 0.38080E+00 -0.55386E-01 704 0.430E+00 0.170E+00
DAV: 9 -0.903892896247E+02 0.84808E-01 -0.13506E-01 720 0.166E+00 0.427E-01
DAV: 10 -0.903848581116E+02 0.44315E-02 -0.49028E-02 712 0.126E+00 0.329E-01
DAV: 11 -0.903886456496E+02 -0.37875E-02 -0.78611E-03 624 0.595E-01 0.118E-01
DAV: 12 -0.903918072493E+02 -0.31616E-02 -0.69024E-03 632 0.429E-01 0.139E-01
DAV: 13 -0.903942381055E+02 -0.24309E-02 -0.20706E-03 877 0.344E-01 0.800E-02
DAV: 14 -0.903973766889E+02 -0.31386E-02 -0.13731E-03 612 0.178E-01 0.725E-02
DAV: 15 -0.903990901858E+02 -0.17135E-02 -0.28289E-04 688 0.981E-02 0.572E-02
DAV: 16 -0.904005327399E+02 -0.14426E-02 -0.10747E-03 666 0.197E-01 0.371E-02
DAV: 17 -0.904011547511E+02 -0.62201E-03 -0.12038E-04 672 0.751E-02 0.311E-02
DAV: 18 -0.904014999573E+02 -0.34521E-03 -0.11298E-04 653 0.536E-02 0.112E-02
DAV: 19 -0.904016572093E+02 -0.15725E-03 -0.46577E-05 666 0.348E-02 0.833E-03
DAV: 20 -0.904016859295E+02 -0.28720E-04 -0.30765E-06 504 0.120E-02 0.672E-03
DAV: 21 -0.904017302426E+02 -0.44313E-04 -0.11725E-05 414 0.196E-02 0.299E-03
DAV: 22 -0.904017348641E+02 -0.46216E-05 -0.40926E-06 504 0.115E-02
1 F= -.90401735E+02 E0= -.90407951E+02 d E =0.186481E-01