./iterations/neb0_image04_iter207_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 0.365146150203E+03 0.36515E+03 -0.14326E+04 632 0.799E+02
DAV: 2 0.956701325651E+00 -0.36419E+03 -0.35254E+03 869 0.194E+02
DAV: 3 -0.959565063755E+02 -0.96913E+02 -0.96614E+02 656 0.115E+02
DAV: 4 -0.100286061017E+03 -0.43296E+01 -0.43205E+01 720 0.282E+01
DAV: 5 -0.100370275491E+03 -0.84214E-01 -0.84187E-01 728 0.353E+00 0.223E+01
DAV: 6 -0.916640269382E+02 0.87062E+01 -0.31191E+01 685 0.298E+01 0.117E+01
DAV: 7 -0.908065303805E+02 0.85750E+00 -0.17822E+00 712 0.645E+00 0.483E+00
DAV: 8 -0.903926481166E+02 0.41388E+00 -0.55015E-01 704 0.438E+00 0.171E+00
DAV: 9 -0.902993292418E+02 0.93319E-01 -0.15430E-01 720 0.186E+00 0.499E-01
DAV: 10 -0.902890830195E+02 0.10246E-01 -0.36583E-02 712 0.105E+00 0.333E-01
DAV: 11 -0.902911824430E+02 -0.20994E-02 -0.60845E-03 688 0.448E-01 0.165E-01
DAV: 12 -0.902941798492E+02 -0.29974E-02 -0.29156E-03 637 0.354E-01 0.117E-01
DAV: 13 -0.902976018365E+02 -0.34220E-02 -0.14138E-03 623 0.263E-01 0.951E-02
DAV: 14 -0.903018493399E+02 -0.42475E-02 -0.19046E-03 676 0.256E-01 0.474E-02
DAV: 15 -0.903031685522E+02 -0.13192E-02 -0.24356E-04 704 0.972E-02 0.379E-02
DAV: 16 -0.903059617518E+02 -0.27932E-02 -0.93746E-04 745 0.193E-01 0.437E-02
DAV: 17 -0.903063503813E+02 -0.38863E-03 -0.12522E-04 744 0.820E-02 0.300E-02
DAV: 18 -0.903070292766E+02 -0.67890E-03 -0.22105E-04 716 0.833E-02 0.113E-02
DAV: 19 -0.903074597606E+02 -0.43048E-03 -0.69585E-05 674 0.445E-02 0.112E-02
DAV: 20 -0.903075540525E+02 -0.94292E-04 -0.79148E-06 504 0.180E-02 0.717E-03
DAV: 21 -0.903076417828E+02 -0.87730E-04 -0.29311E-05 543 0.302E-02 0.570E-03
DAV: 22 -0.903076711906E+02 -0.29408E-04 -0.39093E-06 466 0.146E-02 0.287E-03
DAV: 23 -0.903076794963E+02 -0.83057E-05 -0.32159E-06 496 0.889E-03
1 F= -.90307679E+02 E0= -.90316102E+02 d E =0.252664E-01