iterations/neb0_image01_iter163_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 0.365970521810E+03 0.36597E+03 -0.14301E+04 624 0.799E+02
DAV: 2 0.319557586977E+01 -0.36277E+03 -0.34988E+03 839 0.196E+02
DAV: 3 -0.955151865589E+02 -0.98711E+02 -0.98361E+02 661 0.116E+02
DAV: 4 -0.100229268616E+03 -0.47141E+01 -0.47026E+01 688 0.291E+01
DAV: 5 -0.100324866552E+03 -0.95598E-01 -0.95547E-01 728 0.368E+00 0.223E+01
DAV: 6 -0.916860793180E+02 0.86388E+01 -0.30906E+01 696 0.298E+01 0.117E+01
DAV: 7 -0.908775378315E+02 0.80854E+00 -0.18353E+00 712 0.639E+00 0.484E+00
DAV: 8 -0.905024580672E+02 0.37508E+00 -0.55289E-01 704 0.430E+00 0.166E+00
DAV: 9 -0.904212324546E+02 0.81226E-01 -0.12806E-01 720 0.173E+00 0.426E-01
DAV: 10 -0.904167909695E+02 0.44415E-02 -0.47598E-02 712 0.124E+00 0.330E-01
DAV: 11 -0.904211310353E+02 -0.43401E-02 -0.93106E-03 608 0.682E-01 0.115E-01
DAV: 12 -0.904240138952E+02 -0.28829E-02 -0.60596E-03 624 0.401E-01 0.128E-01
DAV: 13 -0.904267290266E+02 -0.27151E-02 -0.14651E-03 850 0.294E-01 0.807E-02
DAV: 14 -0.904302073328E+02 -0.34783E-02 -0.18136E-03 639 0.224E-01 0.784E-02
DAV: 15 -0.904315502468E+02 -0.13429E-02 -0.31740E-04 824 0.140E-01 0.503E-02
DAV: 16 -0.904329210236E+02 -0.13708E-02 -0.92039E-04 669 0.191E-01 0.371E-02
DAV: 17 -0.904336976458E+02 -0.77662E-03 -0.17151E-04 725 0.900E-02 0.313E-02
DAV: 18 -0.904338367661E+02 -0.13912E-03 -0.30033E-05 720 0.298E-02 0.242E-02
DAV: 19 -0.904341656692E+02 -0.32890E-03 -0.72484E-05 644 0.483E-02 0.128E-02
DAV: 20 -0.904342638285E+02 -0.98159E-04 -0.24158E-05 541 0.328E-02 0.564E-03
DAV: 21 -0.904342979858E+02 -0.34157E-04 -0.12086E-05 504 0.202E-02 0.598E-03
DAV: 22 -0.904343387802E+02 -0.40794E-04 -0.60415E-06 404 0.124E-02 0.424E-03
DAV: 23 -0.904343511626E+02 -0.12382E-04 -0.39161E-06 477 0.118E-02 0.266E-03
DAV: 24 -0.904343528989E+02 -0.17363E-05 -0.16419E-06 528 0.758E-03
1 F= -.90434353E+02 E0= -.90441491E+02 d E =0.214133E-01