iterations/neb0_image03_iter266_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 0.363511583102E+03 0.36351E+03 -0.14326E+04 632 0.799E+02
DAV: 2 0.139783030634E+01 -0.36211E+03 -0.35068E+03 845 0.195E+02
DAV: 3 -0.960096455620E+02 -0.97407E+02 -0.97098E+02 669 0.116E+02
DAV: 4 -0.100336602769E+03 -0.43270E+01 -0.43169E+01 712 0.278E+01
DAV: 5 -0.100422024160E+03 -0.85421E-01 -0.85395E-01 744 0.349E+00 0.223E+01
DAV: 6 -0.917250238251E+02 0.86970E+01 -0.31396E+01 688 0.300E+01 0.117E+01
DAV: 7 -0.908813401258E+02 0.84368E+00 -0.18007E+00 712 0.634E+00 0.485E+00
DAV: 8 -0.904892295130E+02 0.39211E+00 -0.55784E-01 696 0.429E+00 0.170E+00
DAV: 9 -0.903981967275E+02 0.91033E-01 -0.13628E-01 696 0.168E+00 0.440E-01
DAV: 10 -0.903920474576E+02 0.61493E-02 -0.47105E-02 712 0.123E+00 0.334E-01
DAV: 11 -0.903958940738E+02 -0.38466E-02 -0.68752E-03 624 0.589E-01 0.126E-01
DAV: 12 -0.903994014626E+02 -0.35074E-02 -0.58897E-03 621 0.369E-01 0.120E-01
DAV: 13 -0.904035037725E+02 -0.41023E-02 -0.14510E-03 829 0.279E-01 0.841E-02
DAV: 14 -0.904067188641E+02 -0.32151E-02 -0.11817E-03 648 0.151E-01 0.538E-02
DAV: 15 -0.904090341266E+02 -0.23153E-02 -0.40351E-04 669 0.109E-01 0.289E-02
DAV: 16 -0.904103118774E+02 -0.12778E-02 -0.31194E-04 661 0.916E-02 0.250E-02
DAV: 17 -0.904110121931E+02 -0.70032E-03 -0.13139E-04 722 0.711E-02 0.109E-02
DAV: 18 -0.904112510195E+02 -0.23883E-03 -0.44548E-05 624 0.354E-02 0.115E-02
DAV: 19 -0.904113576856E+02 -0.10667E-03 -0.13622E-05 477 0.253E-02 0.531E-03
DAV: 20 -0.904114279069E+02 -0.70221E-04 -0.23620E-05 578 0.252E-02 0.620E-03
DAV: 21 -0.904114657606E+02 -0.37854E-04 -0.83961E-06 461 0.225E-02 0.195E-03
DAV: 22 -0.904114743149E+02 -0.85543E-05 -0.34864E-06 544 0.929E-03
1 F= -.90411474E+02 E0= -.90419430E+02 d E =0.238667E-01