iterations/neb0_image05_iter98_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 0.373561096673E+03 0.37356E+03 -0.14308E+04 632 0.799E+02
DAV: 2 0.313873043074E+01 -0.37042E+03 -0.35812E+03 890 0.194E+02
DAV: 3 -0.942508706681E+02 -0.97390E+02 -0.97043E+02 634 0.116E+02
DAV: 4 -0.988058420368E+02 -0.45550E+01 -0.45437E+01 701 0.295E+01
DAV: 5 -0.989044544064E+02 -0.98612E-01 -0.98560E-01 720 0.384E+00 0.219E+01
DAV: 6 -0.905497707464E+02 0.83547E+01 -0.28610E+01 690 0.287E+01 0.112E+01
DAV: 7 -0.896597856050E+02 0.88999E+00 -0.18119E+00 728 0.672E+00 0.469E+00
DAV: 8 -0.892651488713E+02 0.39464E+00 -0.63359E-01 712 0.455E+00 0.154E+00
DAV: 9 -0.891828320526E+02 0.82317E-01 -0.12324E-01 728 0.168E+00 0.449E-01
DAV: 10 -0.891706389882E+02 0.12193E-01 -0.53699E-02 728 0.125E+00 0.353E-01
DAV: 11 -0.891721633043E+02 -0.15243E-02 -0.12859E-02 632 0.650E-01 0.123E-01
DAV: 12 -0.891737805451E+02 -0.16172E-02 -0.34504E-03 688 0.319E-01 0.129E-01
DAV: 13 -0.891798150038E+02 -0.60345E-02 -0.35720E-03 679 0.407E-01 0.788E-02
DAV: 14 -0.891822785256E+02 -0.24635E-02 -0.87583E-04 696 0.158E-01 0.596E-02
DAV: 15 -0.891853365670E+02 -0.30580E-02 -0.12387E-03 615 0.205E-01 0.398E-02
DAV: 16 -0.891863284148E+02 -0.99185E-03 -0.14982E-04 728 0.778E-02 0.265E-02
DAV: 17 -0.891875508551E+02 -0.12224E-02 -0.25647E-04 625 0.810E-02 0.120E-02
DAV: 18 -0.891879413657E+02 -0.39051E-03 -0.35348E-05 592 0.329E-02 0.828E-03
DAV: 19 -0.891881085487E+02 -0.16718E-03 -0.21687E-05 536 0.246E-02 0.367E-03
DAV: 20 -0.891882083815E+02 -0.99833E-04 -0.13866E-05 450 0.198E-02 0.489E-03
DAV: 21 -0.891882312123E+02 -0.22831E-04 -0.33517E-06 488 0.916E-03 0.349E-03
DAV: 22 -0.891882375681E+02 -0.63558E-05 -0.39283E-06 440 0.118E-02
1 F= -.89188238E+02 E0= -.89192463E+02 d E =0.126762E-01