iterations/neb0_image06_iter150_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 0.371550704644E+03 0.37155E+03 -0.14348E+04 640 0.799E+02
DAV: 2 0.375421979674E+01 -0.36780E+03 -0.35616E+03 874 0.193E+02
DAV: 3 -0.960394886868E+02 -0.99794E+02 -0.99455E+02 701 0.116E+02
DAV: 4 -0.100443492069E+03 -0.44040E+01 -0.43924E+01 704 0.272E+01
DAV: 5 -0.100529437209E+03 -0.85945E-01 -0.85902E-01 736 0.340E+00 0.226E+01
DAV: 6 -0.919404174071E+02 0.85890E+01 -0.30647E+01 712 0.303E+01 0.118E+01
DAV: 7 -0.911136029534E+02 0.82681E+00 -0.17586E+00 704 0.632E+00 0.481E+00
DAV: 8 -0.907377345602E+02 0.37587E+00 -0.54498E-01 712 0.410E+00 0.168E+00
DAV: 9 -0.906480742659E+02 0.89660E-01 -0.13175E-01 720 0.163E+00 0.423E-01
DAV: 10 -0.906385819204E+02 0.94923E-02 -0.34858E-02 736 0.939E-01 0.281E-01
DAV: 11 -0.906425525663E+02 -0.39706E-02 -0.87708E-03 602 0.495E-01 0.140E-01
DAV: 12 -0.906450014347E+02 -0.24489E-02 -0.17691E-03 656 0.241E-01 0.875E-02
DAV: 13 -0.906492518976E+02 -0.42505E-02 -0.16991E-03 617 0.206E-01 0.656E-02
DAV: 14 -0.906516597476E+02 -0.24078E-02 -0.51996E-04 776 0.155E-01 0.262E-02
DAV: 15 -0.906543141365E+02 -0.26544E-02 -0.35260E-04 612 0.899E-02 0.303E-02
DAV: 16 -0.906557390829E+02 -0.14249E-02 -0.14180E-04 728 0.654E-02 0.138E-02
DAV: 17 -0.906565143641E+02 -0.77528E-03 -0.14053E-04 650 0.565E-02 0.156E-02
DAV: 18 -0.906566889983E+02 -0.17463E-03 -0.23491E-05 552 0.361E-02 0.752E-03
DAV: 19 -0.906567765810E+02 -0.87583E-04 -0.30334E-05 570 0.308E-02 0.779E-03
DAV: 20 -0.906568112210E+02 -0.34640E-04 -0.73492E-06 485 0.235E-02 0.306E-03
DAV: 21 -0.906568270308E+02 -0.15810E-04 -0.42995E-06 429 0.115E-02 0.144E-03
DAV: 22 -0.906568383964E+02 -0.11366E-04 -0.15501E-06 425 0.555E-03 0.952E-04
DAV: 23 -0.906568429225E+02 -0.45261E-05 -0.53185E-07 425 0.356E-03
1 F= -.90656843E+02 E0= -.90662162E+02 d E =0.159574E-01