iterations/neb0_image07_iter40_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 0.375693102380E+03 0.37569E+03 -0.14321E+04 632 0.799E+02
DAV: 2 0.393815738490E+01 -0.37175E+03 -0.35866E+03 861 0.195E+02
DAV: 3 -0.961642770217E+02 -0.10010E+03 -0.99764E+02 656 0.117E+02
DAV: 4 -0.100700074060E+03 -0.45358E+01 -0.45241E+01 712 0.290E+01
DAV: 5 -0.100789748475E+03 -0.89674E-01 -0.89644E-01 728 0.366E+00 0.228E+01
DAV: 6 -0.921314677407E+02 0.86583E+01 -0.30494E+01 685 0.304E+01 0.119E+01
DAV: 7 -0.912563657533E+02 0.87510E+00 -0.16897E+00 720 0.618E+00 0.481E+00
DAV: 8 -0.908761272188E+02 0.38024E+00 -0.54653E-01 696 0.406E+00 0.164E+00
DAV: 9 -0.907914729670E+02 0.84654E-01 -0.13268E-01 720 0.161E+00 0.431E-01
DAV: 10 -0.907820899801E+02 0.93830E-02 -0.42397E-02 744 0.107E+00 0.301E-01
DAV: 11 -0.907871039612E+02 -0.50140E-02 -0.14700E-02 610 0.699E-01 0.179E-01
DAV: 12 -0.907884209069E+02 -0.13169E-02 -0.23323E-03 688 0.268E-01 0.121E-01
DAV: 13 -0.907931169585E+02 -0.46961E-02 -0.46044E-03 622 0.413E-01 0.828E-02
DAV: 14 -0.907945602400E+02 -0.14433E-02 -0.72777E-04 704 0.187E-01 0.524E-02
DAV: 15 -0.907977206971E+02 -0.31605E-02 -0.98458E-04 687 0.195E-01 0.349E-02
DAV: 16 -0.907988901649E+02 -0.11695E-02 -0.13576E-04 688 0.727E-02 0.300E-02
DAV: 17 -0.907998169056E+02 -0.92674E-03 -0.15889E-04 682 0.750E-02 0.108E-02
DAV: 18 -0.908004162523E+02 -0.59935E-03 -0.81389E-05 658 0.384E-02 0.120E-02
DAV: 19 -0.908005242142E+02 -0.10796E-03 -0.49030E-06 504 0.130E-02 0.932E-03
DAV: 20 -0.908006089671E+02 -0.84753E-04 -0.24799E-05 461 0.281E-02 0.519E-03
DAV: 21 -0.908006104264E+02 -0.14593E-05 -0.33661E-06 544 0.990E-03
1 F= -.90800610E+02 E0= -.90806039E+02 d E =0.162849E-01