iterations/neb0_image02_iter127_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 0.364715981236E+03 0.36472E+03 -0.14329E+04 632 0.799E+02
DAV: 2 0.394203598842E+01 -0.36077E+03 -0.34631E+03 834 0.195E+02
DAV: 3 -0.955953447106E+02 -0.99537E+02 -0.99205E+02 672 0.116E+02
DAV: 4 -0.100213197853E+03 -0.46179E+01 -0.46067E+01 712 0.286E+01
DAV: 5 -0.100302178789E+03 -0.88981E-01 -0.88940E-01 736 0.357E+00 0.222E+01
DAV: 6 -0.916749857757E+02 0.86272E+01 -0.30943E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908563822726E+02 0.81860E+00 -0.18462E+00 704 0.635E+00 0.483E+00
DAV: 8 -0.904727612958E+02 0.38362E+00 -0.55557E-01 704 0.427E+00 0.169E+00
DAV: 9 -0.903835993721E+02 0.89162E-01 -0.13980E-01 704 0.166E+00 0.433E-01
DAV: 10 -0.903775427930E+02 0.60566E-02 -0.48072E-02 704 0.130E+00 0.324E-01
DAV: 11 -0.903810556804E+02 -0.35129E-02 -0.70835E-03 608 0.494E-01 0.154E-01
DAV: 12 -0.903844510592E+02 -0.33954E-02 -0.79079E-03 632 0.498E-01 0.135E-01
DAV: 13 -0.903872190495E+02 -0.27680E-02 -0.17050E-03 960 0.344E-01 0.813E-02
DAV: 14 -0.903902261210E+02 -0.30071E-02 -0.13397E-03 640 0.172E-01 0.589E-02
DAV: 15 -0.903924975314E+02 -0.22714E-02 -0.39901E-04 669 0.109E-01 0.442E-02
DAV: 16 -0.903939560533E+02 -0.14585E-02 -0.65193E-04 664 0.146E-01 0.313E-02
DAV: 17 -0.903948101856E+02 -0.85413E-03 -0.13896E-04 661 0.785E-02 0.223E-02
DAV: 18 -0.903950028604E+02 -0.19267E-03 -0.61480E-05 688 0.394E-02 0.976E-03
DAV: 19 -0.903951708806E+02 -0.16802E-03 -0.25423E-05 482 0.263E-02 0.294E-03
DAV: 20 -0.903952251483E+02 -0.54268E-04 -0.61713E-06 477 0.126E-02 0.464E-03
DAV: 21 -0.903952561929E+02 -0.31045E-04 -0.46659E-06 437 0.133E-02 0.477E-03
DAV: 22 -0.903952767815E+02 -0.20589E-04 -0.47651E-06 471 0.121E-02 0.309E-03
DAV: 23 -0.903952787487E+02 -0.19673E-05 -0.32381E-06 536 0.109E-02
1 F= -.90395279E+02 E0= -.90401226E+02 d E =0.178416E-01