iterations/neb0_image09_iter138_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 0.374522009415E+03 0.37452E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.240838125455E+01 -0.37211E+03 -0.35988E+03 877 0.196E+02
DAV: 3 -0.969332391165E+02 -0.99342E+02 -0.99007E+02 669 0.116E+02
DAV: 4 -0.101274842891E+03 -0.43416E+01 -0.43322E+01 704 0.280E+01
DAV: 5 -0.101359057687E+03 -0.84215E-01 -0.84175E-01 736 0.355E+00 0.227E+01
DAV: 6 -0.926824751228E+02 0.86766E+01 -0.30926E+01 712 0.301E+01 0.119E+01
DAV: 7 -0.918062623839E+02 0.87621E+00 -0.17207E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.914276705878E+02 0.37859E+00 -0.54511E-01 712 0.396E+00 0.163E+00
DAV: 9 -0.913460674359E+02 0.81603E-01 -0.13215E-01 712 0.156E+00 0.425E-01
DAV: 10 -0.913375779895E+02 0.84894E-02 -0.46339E-02 773 0.114E+00 0.305E-01
DAV: 11 -0.913418484416E+02 -0.42705E-02 -0.12763E-02 616 0.592E-01 0.136E-01
DAV: 12 -0.913449069385E+02 -0.30585E-02 -0.30335E-03 631 0.243E-01 0.117E-01
DAV: 13 -0.913487233157E+02 -0.38164E-02 -0.16424E-03 720 0.224E-01 0.425E-02
DAV: 14 -0.913519106659E+02 -0.31874E-02 -0.52134E-04 677 0.118E-01 0.364E-02
DAV: 15 -0.913536738734E+02 -0.17632E-02 -0.15430E-04 656 0.703E-02 0.337E-02
DAV: 16 -0.913548707101E+02 -0.11968E-02 -0.34872E-04 663 0.917E-02 0.215E-02
DAV: 17 -0.913551381949E+02 -0.26748E-03 -0.69960E-05 712 0.590E-02 0.110E-02
DAV: 18 -0.913553926165E+02 -0.25442E-03 -0.42232E-05 556 0.270E-02 0.102E-02
DAV: 19 -0.913554371338E+02 -0.44517E-04 -0.63025E-06 504 0.180E-02 0.476E-03
DAV: 20 -0.913554754368E+02 -0.38303E-04 -0.16357E-05 407 0.254E-02 0.518E-03
DAV: 21 -0.913554879321E+02 -0.12495E-04 -0.30565E-06 472 0.102E-02 0.426E-03
DAV: 22 -0.913554942005E+02 -0.62684E-05 -0.30389E-06 417 0.116E-02
1 F= -.91355494E+02 E0= -.91360238E+02 d E =0.142305E-01