./iterations/neb0_image02_iter274_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 0.365459701404E+03 0.36546E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.234684062826E+01 -0.36311E+03 -0.35093E+03 853 0.195E+02
DAV: 3 -0.954291107916E+02 -0.97776E+02 -0.97434E+02 632 0.116E+02
DAV: 4 -0.100216399243E+03 -0.47873E+01 -0.47760E+01 720 0.301E+01
DAV: 5 -0.100311189133E+03 -0.94790E-01 -0.94757E-01 720 0.381E+00 0.222E+01
DAV: 6 -0.916567873845E+02 0.86544E+01 -0.30958E+01 677 0.300E+01 0.117E+01
DAV: 7 -0.908456620151E+02 0.81113E+00 -0.18089E+00 720 0.633E+00 0.484E+00
DAV: 8 -0.904689369427E+02 0.37673E+00 -0.54388E-01 704 0.426E+00 0.170E+00
DAV: 9 -0.903850879985E+02 0.83849E-01 -0.13212E-01 720 0.174E+00 0.425E-01
DAV: 10 -0.903811363362E+02 0.39517E-02 -0.46853E-02 712 0.120E+00 0.329E-01
DAV: 11 -0.903857427562E+02 -0.46064E-02 -0.10622E-02 618 0.741E-01 0.121E-01
DAV: 12 -0.903878150519E+02 -0.20723E-02 -0.52994E-03 637 0.359E-01 0.126E-01
DAV: 13 -0.903907297851E+02 -0.29147E-02 -0.20629E-03 797 0.331E-01 0.846E-02
DAV: 14 -0.903938465488E+02 -0.31168E-02 -0.12743E-03 631 0.175E-01 0.731E-02
DAV: 15 -0.903953291510E+02 -0.14826E-02 -0.29439E-04 808 0.120E-01 0.413E-02
DAV: 16 -0.903969043287E+02 -0.15752E-02 -0.81901E-04 664 0.178E-01 0.398E-02
DAV: 17 -0.903975083775E+02 -0.60405E-03 -0.20521E-04 864 0.102E-01 0.255E-02
DAV: 18 -0.903975517579E+02 -0.43380E-04 -0.31931E-05 664 0.310E-02 0.190E-02
DAV: 19 -0.903978074969E+02 -0.25574E-03 -0.52756E-05 630 0.431E-02 0.108E-02
DAV: 20 -0.903979165783E+02 -0.10908E-03 -0.13468E-05 480 0.194E-02 0.642E-03
DAV: 21 -0.903979629351E+02 -0.46357E-04 -0.73870E-06 461 0.126E-02 0.412E-03
DAV: 22 -0.903979924736E+02 -0.29539E-04 -0.77772E-06 436 0.164E-02 0.327E-03
DAV: 23 -0.903979967829E+02 -0.43093E-05 -0.20777E-06 504 0.696E-03
1 F= -.90397997E+02 E0= -.90405273E+02 d E =0.218280E-01