iterations/neb0_image07_iter191_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 0.371667848066E+03 0.37167E+03 -0.14326E+04 632 0.799E+02
DAV: 2 0.341126825552E+01 -0.36826E+03 -0.35570E+03 869 0.194E+02
DAV: 3 -0.964912043529E+02 -0.99902E+02 -0.99581E+02 680 0.116E+02
DAV: 4 -0.101107431600E+03 -0.46162E+01 -0.46039E+01 712 0.283E+01
DAV: 5 -0.101200890808E+03 -0.93459E-01 -0.93404E-01 728 0.360E+00 0.227E+01
DAV: 6 -0.925791040423E+02 0.86218E+01 -0.30593E+01 728 0.299E+01 0.119E+01
DAV: 7 -0.917226544195E+02 0.85645E+00 -0.17436E+00 712 0.618E+00 0.479E+00
DAV: 8 -0.913507118237E+02 0.37194E+00 -0.52795E-01 728 0.394E+00 0.164E+00
DAV: 9 -0.912686871457E+02 0.82025E-01 -0.13148E-01 728 0.157E+00 0.420E-01
DAV: 10 -0.912601906546E+02 0.84965E-02 -0.42039E-02 733 0.108E+00 0.293E-01
DAV: 11 -0.912645258139E+02 -0.43352E-02 -0.12003E-02 616 0.576E-01 0.141E-01
DAV: 12 -0.912673349589E+02 -0.28091E-02 -0.24011E-03 634 0.249E-01 0.945E-02
DAV: 13 -0.912713347270E+02 -0.39998E-02 -0.17309E-03 634 0.211E-01 0.511E-02
DAV: 14 -0.912739649804E+02 -0.26303E-02 -0.54347E-04 752 0.181E-01 0.338E-02
DAV: 15 -0.912760700484E+02 -0.21051E-02 -0.39698E-04 655 0.989E-02 0.322E-02
DAV: 16 -0.912769405975E+02 -0.87055E-03 -0.13957E-04 752 0.763E-02 0.113E-02
DAV: 17 -0.912777601537E+02 -0.81956E-03 -0.11517E-04 722 0.533E-02 0.153E-02
DAV: 18 -0.912779448557E+02 -0.18470E-03 -0.18767E-05 512 0.332E-02 0.928E-03
DAV: 19 -0.912780661929E+02 -0.12134E-03 -0.46360E-05 615 0.386E-02 0.953E-03
DAV: 20 -0.912781058092E+02 -0.39616E-04 -0.92645E-06 496 0.279E-02 0.305E-03
DAV: 21 -0.912781307599E+02 -0.24951E-04 -0.49353E-06 425 0.116E-02 0.172E-03
DAV: 22 -0.912781459176E+02 -0.15158E-04 -0.22524E-06 417 0.693E-03 0.123E-03
DAV: 23 -0.912781480507E+02 -0.21331E-05 -0.10051E-06 512 0.536E-03
1 F= -.91278148E+02 E0= -.91283616E+02 d E =0.164048E-01