iterations/neb0_image07_iter290_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 0.373022679270E+03 0.37302E+03 -0.14328E+04 632 0.799E+02
DAV: 2 0.413562200674E+01 -0.36889E+03 -0.35797E+03 858 0.194E+02
DAV: 3 -0.963566021604E+02 -0.10049E+03 -0.10016E+03 648 0.117E+02
DAV: 4 -0.101239342094E+03 -0.48827E+01 -0.48701E+01 712 0.298E+01
DAV: 5 -0.101336663977E+03 -0.97322E-01 -0.97280E-01 728 0.379E+00 0.229E+01
DAV: 6 -0.926166196361E+02 0.87200E+01 -0.30997E+01 720 0.301E+01 0.120E+01
DAV: 7 -0.917349766418E+02 0.88164E+00 -0.17295E+00 720 0.615E+00 0.479E+00
DAV: 8 -0.913559930432E+02 0.37898E+00 -0.53315E-01 736 0.392E+00 0.163E+00
DAV: 9 -0.912707255837E+02 0.85267E-01 -0.12982E-01 736 0.153E+00 0.424E-01
DAV: 10 -0.912612270681E+02 0.94985E-02 -0.46076E-02 776 0.110E+00 0.303E-01
DAV: 11 -0.912663531904E+02 -0.51261E-02 -0.14801E-02 610 0.638E-01 0.164E-01
DAV: 12 -0.912688972910E+02 -0.25441E-02 -0.28959E-03 623 0.238E-01 0.110E-01
DAV: 13 -0.912731550178E+02 -0.42577E-02 -0.32543E-03 630 0.288E-01 0.655E-02
DAV: 14 -0.912760979338E+02 -0.29429E-02 -0.10494E-03 688 0.193E-01 0.301E-02
DAV: 15 -0.912781537058E+02 -0.20558E-02 -0.28096E-04 650 0.771E-02 0.244E-02
DAV: 16 -0.912790650473E+02 -0.91134E-03 -0.11415E-04 712 0.671E-02 0.144E-02
DAV: 17 -0.912796150525E+02 -0.55001E-03 -0.12310E-04 637 0.521E-02 0.151E-02
DAV: 18 -0.912797342745E+02 -0.11922E-03 -0.22579E-05 632 0.347E-02 0.374E-03
DAV: 19 -0.912798196643E+02 -0.85390E-04 -0.18777E-05 425 0.223E-02 0.423E-03
DAV: 20 -0.912798391987E+02 -0.19534E-04 -0.38282E-06 488 0.898E-03 0.432E-03
DAV: 21 -0.912798456386E+02 -0.64399E-05 -0.14823E-06 442 0.935E-03
1 F= -.91279846E+02 E0= -.91284746E+02 d E =0.147017E-01