./iterations/neb0_image09_iter142_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 0.374403232143E+03 0.37440E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.239555260164E+01 -0.37201E+03 -0.35979E+03 877 0.196E+02
DAV: 3 -0.966976508860E+02 -0.99093E+02 -0.98757E+02 653 0.117E+02
DAV: 4 -0.101226086464E+03 -0.45284E+01 -0.45185E+01 712 0.289E+01
DAV: 5 -0.101315550224E+03 -0.89464E-01 -0.89424E-01 736 0.367E+00 0.227E+01
DAV: 6 -0.926666398922E+02 0.86489E+01 -0.30886E+01 704 0.301E+01 0.119E+01
DAV: 7 -0.918035118781E+02 0.86313E+00 -0.17067E+00 728 0.614E+00 0.480E+00
DAV: 8 -0.914273993354E+02 0.37611E+00 -0.54587E-01 712 0.396E+00 0.162E+00
DAV: 9 -0.913457085601E+02 0.81691E-01 -0.13055E-01 712 0.155E+00 0.422E-01
DAV: 10 -0.913371003966E+02 0.86082E-02 -0.44089E-02 760 0.109E+00 0.299E-01
DAV: 11 -0.913414764178E+02 -0.43760E-02 -0.11904E-02 616 0.566E-01 0.137E-01
DAV: 12 -0.913445948008E+02 -0.31184E-02 -0.29438E-03 634 0.251E-01 0.104E-01
DAV: 13 -0.913481985488E+02 -0.36037E-02 -0.10664E-03 664 0.179E-01 0.477E-02
DAV: 14 -0.913517423737E+02 -0.35438E-02 -0.87361E-04 656 0.168E-01 0.393E-02
DAV: 15 -0.913528569366E+02 -0.11146E-02 -0.14317E-04 752 0.835E-02 0.360E-02
DAV: 16 -0.913542862615E+02 -0.14293E-02 -0.35195E-04 641 0.985E-02 0.179E-02
DAV: 17 -0.913547406222E+02 -0.45436E-03 -0.70774E-05 704 0.587E-02 0.134E-02
DAV: 18 -0.913549933105E+02 -0.25269E-03 -0.48567E-05 629 0.344E-02 0.962E-03
DAV: 19 -0.913550682056E+02 -0.74895E-04 -0.84563E-06 496 0.159E-02 0.525E-03
DAV: 20 -0.913551009973E+02 -0.32792E-04 -0.69354E-06 440 0.159E-02 0.171E-03
DAV: 21 -0.913551229969E+02 -0.22000E-04 -0.37524E-06 426 0.919E-03 0.202E-03
DAV: 22 -0.913551275227E+02 -0.45258E-05 -0.81781E-07 474 0.389E-03
1 F= -.91355128E+02 E0= -.91359963E+02 d E =0.145070E-01