iterations/neb0_image04_iter203_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 0.363116318276E+03 0.36312E+03 -0.14358E+04 640 0.799E+02
DAV: 2 0.147458856344E+01 -0.36164E+03 -0.34883E+03 853 0.193E+02
DAV: 3 -0.960787593276E+02 -0.97553E+02 -0.97256E+02 669 0.116E+02
DAV: 4 -0.100299585143E+03 -0.42208E+01 -0.42121E+01 701 0.276E+01
DAV: 5 -0.100380572255E+03 -0.80987E-01 -0.80960E-01 720 0.345E+00 0.224E+01
DAV: 6 -0.916654785815E+02 0.87151E+01 -0.31095E+01 690 0.297E+01 0.117E+01
DAV: 7 -0.907989676523E+02 0.86651E+00 -0.17928E+00 704 0.635E+00 0.483E+00
DAV: 8 -0.903876184586E+02 0.41135E+00 -0.56695E-01 704 0.435E+00 0.168E+00
DAV: 9 -0.902951357212E+02 0.92483E-01 -0.12396E-01 720 0.205E+00 0.510E-01
DAV: 10 -0.902836323849E+02 0.11503E-01 -0.36555E-02 720 0.962E-01 0.364E-01
DAV: 11 -0.902858922295E+02 -0.22598E-02 -0.13099E-02 744 0.841E-01 0.301E-01
DAV: 12 -0.902866971780E+02 -0.80495E-03 -0.45279E-03 744 0.626E-01 0.121E-01
DAV: 13 -0.902910524997E+02 -0.43553E-02 -0.36498E-03 625 0.316E-01 0.101E-01
DAV: 14 -0.902945636385E+02 -0.35111E-02 -0.76610E-04 637 0.180E-01 0.562E-02
DAV: 15 -0.902979289891E+02 -0.33654E-02 -0.71146E-04 653 0.152E-01 0.311E-02
DAV: 16 -0.902998180342E+02 -0.18890E-02 -0.22455E-04 680 0.907E-02 0.172E-02
DAV: 17 -0.903011002457E+02 -0.12822E-02 -0.18872E-04 658 0.629E-02 0.195E-02
DAV: 18 -0.903015220425E+02 -0.42180E-03 -0.77637E-05 736 0.651E-02 0.101E-02
DAV: 19 -0.903016826503E+02 -0.16061E-03 -0.36185E-05 647 0.283E-02 0.111E-02
DAV: 20 -0.903017206072E+02 -0.37957E-04 -0.41705E-06 528 0.171E-02 0.688E-03
DAV: 21 -0.903018245284E+02 -0.10392E-03 -0.43834E-05 537 0.394E-02 0.919E-03
DAV: 22 -0.903018304867E+02 -0.59583E-05 -0.46743E-06 504 0.186E-02
1 F= -.90301830E+02 E0= -.90310316E+02 d E =0.254559E-01