./iterations/neb0_image08_iter181_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 0.374150255861E+03 0.37415E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.355744624858E+01 -0.37059E+03 -0.35841E+03 863 0.196E+02
DAV: 3 -0.967641848075E+02 -0.10032E+03 -0.10002E+03 677 0.117E+02
DAV: 4 -0.101263783387E+03 -0.44996E+01 -0.44868E+01 720 0.283E+01
DAV: 5 -0.101351653261E+03 -0.87870E-01 -0.87816E-01 712 0.358E+00 0.227E+01
DAV: 6 -0.926648440498E+02 0.86868E+01 -0.30929E+01 720 0.300E+01 0.119E+01
DAV: 7 -0.917896518049E+02 0.87519E+00 -0.17241E+00 720 0.613E+00 0.480E+00
DAV: 8 -0.914134331943E+02 0.37622E+00 -0.54854E-01 720 0.398E+00 0.161E+00
DAV: 9 -0.913340513567E+02 0.79382E-01 -0.12998E-01 720 0.154E+00 0.420E-01
DAV: 10 -0.913260193270E+02 0.80320E-02 -0.44379E-02 744 0.110E+00 0.301E-01
DAV: 11 -0.913307878765E+02 -0.47685E-02 -0.13208E-02 608 0.597E-01 0.145E-01
DAV: 12 -0.913337354941E+02 -0.29476E-02 -0.27838E-03 633 0.248E-01 0.103E-01
DAV: 13 -0.913370692680E+02 -0.33338E-02 -0.14758E-03 634 0.198E-01 0.442E-02
DAV: 14 -0.913405700489E+02 -0.35008E-02 -0.91565E-04 714 0.200E-01 0.408E-02
DAV: 15 -0.913414677918E+02 -0.89774E-03 -0.23131E-04 696 0.100E-01 0.333E-02
DAV: 16 -0.913425676165E+02 -0.10998E-02 -0.24865E-04 677 0.882E-02 0.123E-02
DAV: 17 -0.913433148105E+02 -0.74719E-03 -0.69283E-05 664 0.383E-02 0.135E-02
DAV: 18 -0.913436152053E+02 -0.30039E-03 -0.43679E-05 592 0.331E-02 0.844E-03
DAV: 19 -0.913436902696E+02 -0.75064E-04 -0.17854E-05 496 0.237E-02 0.571E-03
DAV: 20 -0.913437231383E+02 -0.32869E-04 -0.56766E-06 439 0.120E-02 0.444E-03
DAV: 21 -0.913437310587E+02 -0.79204E-05 -0.15500E-06 496 0.832E-03
1 F= -.91343731E+02 E0= -.91348804E+02 d E =0.152200E-01