iterations/neb0_image01_iter120_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 0.366470841430E+03 0.36647E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.336832350658E+01 -0.36310E+03 -0.34985E+03 839 0.195E+02
DAV: 3 -0.957079413518E+02 -0.99076E+02 -0.98732E+02 677 0.116E+02
DAV: 4 -0.100216545316E+03 -0.45086E+01 -0.44989E+01 693 0.282E+01
DAV: 5 -0.100306569160E+03 -0.90024E-01 -0.89972E-01 744 0.355E+00 0.222E+01
DAV: 6 -0.916850432919E+02 0.86215E+01 -0.31094E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908737480565E+02 0.81130E+00 -0.18220E+00 720 0.636E+00 0.484E+00
DAV: 8 -0.904946023093E+02 0.37915E+00 -0.55800E-01 712 0.429E+00 0.167E+00
DAV: 9 -0.904110649978E+02 0.83537E-01 -0.13536E-01 704 0.164E+00 0.427E-01
DAV: 10 -0.904059808087E+02 0.50842E-02 -0.45553E-02 720 0.124E+00 0.316E-01
DAV: 11 -0.904098699733E+02 -0.38892E-02 -0.66557E-03 608 0.486E-01 0.138E-01
DAV: 12 -0.904134614685E+02 -0.35915E-02 -0.70406E-03 626 0.487E-01 0.130E-01
DAV: 13 -0.904160863103E+02 -0.26248E-02 -0.15387E-03 848 0.316E-01 0.747E-02
DAV: 14 -0.904190458014E+02 -0.29595E-02 -0.13614E-03 642 0.174E-01 0.590E-02
DAV: 15 -0.904210410946E+02 -0.19953E-02 -0.37009E-04 680 0.115E-01 0.460E-02
DAV: 16 -0.904224335044E+02 -0.13924E-02 -0.82254E-04 653 0.169E-01 0.368E-02
DAV: 17 -0.904232003578E+02 -0.76685E-03 -0.15886E-04 789 0.913E-02 0.233E-02
DAV: 18 -0.904233902850E+02 -0.18993E-03 -0.57617E-05 680 0.373E-02 0.125E-02
DAV: 19 -0.904236065536E+02 -0.21627E-03 -0.56438E-05 633 0.379E-02 0.634E-03
DAV: 20 -0.904236276807E+02 -0.21127E-04 -0.45597E-06 496 0.144E-02 0.665E-03
DAV: 21 -0.904236643442E+02 -0.36663E-04 -0.67187E-06 406 0.155E-02 0.513E-03
DAV: 22 -0.904236811123E+02 -0.16768E-04 -0.39265E-06 477 0.139E-02 0.271E-03
DAV: 23 -0.904236831178E+02 -0.20055E-05 -0.40619E-06 528 0.114E-02
1 F= -.90423683E+02 E0= -.90428973E+02 d E =0.158695E-01