./iterations/neb0_image05_iter78_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 0.373069769950E+03 0.37307E+03 -0.14305E+04 632 0.799E+02
DAV: 2 0.348340128576E+01 -0.36959E+03 -0.35752E+03 885 0.194E+02
DAV: 3 -0.940893406251E+02 -0.97573E+02 -0.97227E+02 645 0.116E+02
DAV: 4 -0.986146587667E+02 -0.45253E+01 -0.45138E+01 704 0.292E+01
DAV: 5 -0.987132411270E+02 -0.98582E-01 -0.98543E-01 744 0.381E+00 0.218E+01
DAV: 6 -0.904578169066E+02 0.82554E+01 -0.28849E+01 693 0.289E+01 0.112E+01
DAV: 7 -0.896116001356E+02 0.84622E+00 -0.17889E+00 720 0.671E+00 0.468E+00
DAV: 8 -0.892270270107E+02 0.38457E+00 -0.61034E-01 704 0.441E+00 0.155E+00
DAV: 9 -0.891437602567E+02 0.83267E-01 -0.12378E-01 736 0.162E+00 0.437E-01
DAV: 10 -0.891326384194E+02 0.11122E-01 -0.48219E-02 712 0.117E+00 0.333E-01
DAV: 11 -0.891345565069E+02 -0.19181E-02 -0.98692E-03 629 0.569E-01 0.118E-01
DAV: 12 -0.891367409308E+02 -0.21844E-02 -0.32154E-03 685 0.300E-01 0.116E-01
DAV: 13 -0.891420428176E+02 -0.53019E-02 -0.16646E-03 791 0.282E-01 0.658E-02
DAV: 14 -0.891446349102E+02 -0.25921E-02 -0.75563E-04 679 0.128E-01 0.426E-02
DAV: 15 -0.891478610048E+02 -0.32261E-02 -0.75378E-04 706 0.156E-01 0.336E-02
DAV: 16 -0.891486575053E+02 -0.79650E-03 -0.87637E-05 784 0.611E-02 0.216E-02
DAV: 17 -0.891496526422E+02 -0.99514E-03 -0.19774E-04 647 0.758E-02 0.124E-02
DAV: 18 -0.891500503133E+02 -0.39767E-03 -0.39672E-05 581 0.435E-02 0.700E-03
DAV: 19 -0.891502025111E+02 -0.15220E-03 -0.24128E-05 520 0.245E-02 0.536E-03
DAV: 20 -0.891502790022E+02 -0.76491E-04 -0.10876E-05 441 0.217E-02 0.288E-03
DAV: 21 -0.891503089713E+02 -0.29969E-04 -0.43968E-06 464 0.964E-03 0.271E-03
DAV: 22 -0.891503185299E+02 -0.95586E-05 -0.25800E-06 469 0.107E-02
1 F= -.89150319E+02 E0= -.89154379E+02 d E =0.121817E-01