./iterations/neb0_image03_iter186_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 0.364268217378E+03 0.36427E+03 -0.14324E+04 632 0.799E+02
DAV: 2 0.906596289237E-01 -0.36418E+03 -0.35408E+03 858 0.195E+02
DAV: 3 -0.960775998791E+02 -0.96168E+02 -0.95860E+02 666 0.115E+02
DAV: 4 -0.100267907588E+03 -0.41903E+01 -0.41786E+01 720 0.274E+01
DAV: 5 -0.100350211052E+03 -0.82303E-01 -0.82266E-01 736 0.345E+00 0.222E+01
DAV: 6 -0.917229799285E+02 0.86272E+01 -0.30928E+01 680 0.298E+01 0.117E+01
DAV: 7 -0.908794547699E+02 0.84353E+00 -0.18215E+00 704 0.640E+00 0.483E+00
DAV: 8 -0.904851521055E+02 0.39430E+00 -0.54135E-01 704 0.419E+00 0.171E+00
DAV: 9 -0.903878563447E+02 0.97296E-01 -0.12978E-01 712 0.208E+00 0.450E-01
DAV: 10 -0.903805408521E+02 0.73155E-02 -0.42856E-02 712 0.113E+00 0.347E-01
DAV: 11 -0.903841330499E+02 -0.35922E-02 -0.14395E-02 608 0.813E-01 0.175E-01
DAV: 12 -0.903856641025E+02 -0.15311E-02 -0.61144E-03 704 0.525E-01 0.125E-01
DAV: 13 -0.903901504145E+02 -0.44863E-02 -0.41727E-03 623 0.380E-01 0.910E-02
DAV: 14 -0.903931867831E+02 -0.30364E-02 -0.71033E-04 677 0.158E-01 0.510E-02
DAV: 15 -0.903960355277E+02 -0.28487E-02 -0.65191E-04 656 0.127E-01 0.222E-02
DAV: 16 -0.903977003800E+02 -0.16649E-02 -0.14663E-04 680 0.576E-02 0.185E-02
DAV: 17 -0.903987764059E+02 -0.10760E-02 -0.15224E-04 650 0.738E-02 0.123E-02
DAV: 18 -0.903992239039E+02 -0.44750E-03 -0.59046E-05 656 0.382E-02 0.124E-02
DAV: 19 -0.903993185574E+02 -0.94654E-04 -0.13988E-05 504 0.285E-02 0.566E-03
DAV: 20 -0.903994346777E+02 -0.11612E-03 -0.33640E-05 556 0.298E-02 0.695E-03
DAV: 21 -0.903994698191E+02 -0.35141E-04 -0.34957E-06 488 0.149E-02 0.450E-03
DAV: 22 -0.903994838858E+02 -0.14067E-04 -0.61889E-06 472 0.137E-02 0.123E-03
DAV: 23 -0.903994889766E+02 -0.50908E-05 -0.11984E-06 488 0.604E-03
1 F= -.90399489E+02 E0= -.90407640E+02 d E =0.244517E-01