iterations/neb0_image03_iter220_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 0.364138114903E+03 0.36414E+03 -0.14329E+04 632 0.799E+02
DAV: 2 -0.121977413592E+00 -0.36426E+03 -0.35449E+03 855 0.195E+02
DAV: 3 -0.960343535793E+02 -0.95912E+02 -0.95603E+02 656 0.115E+02
DAV: 4 -0.100333728167E+03 -0.42994E+01 -0.42883E+01 712 0.281E+01
DAV: 5 -0.100417988179E+03 -0.84260E-01 -0.84225E-01 736 0.355E+00 0.223E+01
DAV: 6 -0.917404188664E+02 0.86776E+01 -0.31101E+01 672 0.299E+01 0.117E+01
DAV: 7 -0.908888276523E+02 0.85159E+00 -0.18109E+00 712 0.634E+00 0.485E+00
DAV: 8 -0.904922923386E+02 0.39654E+00 -0.56329E-01 704 0.429E+00 0.169E+00
DAV: 9 -0.903984370376E+02 0.93855E-01 -0.13252E-01 712 0.169E+00 0.438E-01
DAV: 10 -0.903909280970E+02 0.75089E-02 -0.50107E-02 720 0.124E+00 0.341E-01
DAV: 11 -0.903953798125E+02 -0.44517E-02 -0.94010E-03 624 0.656E-01 0.121E-01
DAV: 12 -0.903982966998E+02 -0.29169E-02 -0.52118E-03 621 0.331E-01 0.122E-01
DAV: 13 -0.904024677478E+02 -0.41710E-02 -0.19633E-03 901 0.333E-01 0.868E-02
DAV: 14 -0.904055183964E+02 -0.30506E-02 -0.10486E-03 661 0.152E-01 0.587E-02
DAV: 15 -0.904077017642E+02 -0.21834E-02 -0.36463E-04 656 0.101E-01 0.266E-02
DAV: 16 -0.904093861868E+02 -0.16844E-02 -0.30817E-04 661 0.869E-02 0.234E-02
DAV: 17 -0.904101789946E+02 -0.79281E-03 -0.12361E-04 752 0.696E-02 0.107E-02
DAV: 18 -0.904105149982E+02 -0.33600E-03 -0.68352E-05 656 0.411E-02 0.114E-02
DAV: 19 -0.904105585391E+02 -0.43541E-04 -0.56161E-06 520 0.190E-02 0.587E-03
DAV: 20 -0.904106374970E+02 -0.78958E-04 -0.29475E-05 554 0.306E-02 0.713E-03
DAV: 21 -0.904106634580E+02 -0.25961E-04 -0.34896E-06 480 0.148E-02 0.422E-03
DAV: 22 -0.904106768619E+02 -0.13404E-04 -0.52361E-06 432 0.126E-02 0.711E-04
DAV: 23 -0.904106817077E+02 -0.48458E-05 -0.10926E-06 464 0.502E-03
1 F= -.90410682E+02 E0= -.90417899E+02 d E =0.216509E-01