iterations/neb0_image08_iter8_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 0.367933868021E+03 0.36793E+03 -0.14250E+04 624 0.799E+02
DAV: 2 0.221596207012E+01 -0.36572E+03 -0.35346E+03 877 0.195E+02
DAV: 3 -0.960323236011E+02 -0.98248E+02 -0.97898E+02 680 0.115E+02
DAV: 4 -0.100402249822E+03 -0.43699E+01 -0.43564E+01 704 0.276E+01
DAV: 5 -0.100491031782E+03 -0.88782E-01 -0.88730E-01 728 0.353E+00 0.221E+01
DAV: 6 -0.919196483181E+02 0.85714E+01 -0.30702E+01 728 0.301E+01 0.116E+01
DAV: 7 -0.910696785745E+02 0.84997E+00 -0.17242E+00 704 0.647E+00 0.478E+00
DAV: 8 -0.906929609033E+02 0.37672E+00 -0.62111E-01 704 0.422E+00 0.165E+00
DAV: 9 -0.906104579021E+02 0.82503E-01 -0.13384E-01 709 0.172E+00 0.466E-01
DAV: 10 -0.906014060629E+02 0.90518E-02 -0.23518E-02 760 0.747E-01 0.264E-01
DAV: 11 -0.906047033733E+02 -0.32973E-02 -0.11428E-02 645 0.610E-01 0.168E-01
DAV: 12 -0.906066459400E+02 -0.19426E-02 -0.41778E-03 728 0.446E-01 0.102E-01
DAV: 13 -0.906109165066E+02 -0.42706E-02 -0.36536E-03 646 0.318E-01 0.102E-01
DAV: 14 -0.906129434589E+02 -0.20270E-02 -0.12773E-03 760 0.224E-01 0.359E-02
DAV: 15 -0.906158642476E+02 -0.29208E-02 -0.86053E-04 666 0.166E-01 0.496E-02
DAV: 16 -0.906172504207E+02 -0.13862E-02 -0.19765E-04 797 0.103E-01 0.207E-02
DAV: 17 -0.906180052773E+02 -0.75486E-03 -0.20765E-04 663 0.818E-02 0.174E-02
DAV: 18 -0.906185012803E+02 -0.49600E-03 -0.37789E-05 597 0.383E-02 0.117E-02
DAV: 19 -0.906187152979E+02 -0.21402E-03 -0.41508E-05 685 0.339E-02 0.411E-03
DAV: 20 -0.906187951979E+02 -0.79900E-04 -0.84421E-06 453 0.224E-02 0.288E-03
DAV: 21 -0.906188262439E+02 -0.31046E-04 -0.51065E-06 468 0.983E-03 0.278E-03
DAV: 22 -0.906188310854E+02 -0.48415E-05 -0.16148E-06 509 0.893E-03
1 F= -.90618831E+02 E0= -.90622718E+02 d E =0.116611E-01