iterations/neb0_image02_iter177_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 0.366668522628E+03 0.36667E+03 -0.14294E+04 624 0.799E+02
DAV: 2 0.178710366977E+01 -0.36488E+03 -0.35355E+03 861 0.195E+02
DAV: 3 -0.958411893813E+02 -0.97628E+02 -0.97296E+02 664 0.116E+02
DAV: 4 -0.100219645297E+03 -0.43785E+01 -0.43687E+01 720 0.282E+01
DAV: 5 -0.100303929870E+03 -0.84285E-01 -0.84258E-01 744 0.353E+00 0.222E+01
DAV: 6 -0.916693046507E+02 0.86346E+01 -0.31081E+01 688 0.300E+01 0.117E+01
DAV: 7 -0.908592379311E+02 0.81007E+00 -0.18363E+00 704 0.637E+00 0.484E+00
DAV: 8 -0.904794203350E+02 0.37982E+00 -0.55214E-01 696 0.430E+00 0.170E+00
DAV: 9 -0.903923436393E+02 0.87077E-01 -0.13727E-01 712 0.167E+00 0.430E-01
DAV: 10 -0.903868414499E+02 0.55022E-02 -0.50009E-02 712 0.129E+00 0.331E-01
DAV: 11 -0.903903123871E+02 -0.34709E-02 -0.76252E-03 616 0.567E-01 0.130E-01
DAV: 12 -0.903935056265E+02 -0.31932E-02 -0.75034E-03 648 0.455E-01 0.138E-01
DAV: 13 -0.903959879809E+02 -0.24824E-02 -0.19829E-03 888 0.352E-01 0.817E-02
DAV: 14 -0.903991612838E+02 -0.31733E-02 -0.14185E-03 639 0.178E-01 0.691E-02
DAV: 15 -0.904010477106E+02 -0.18864E-02 -0.33521E-04 664 0.105E-01 0.537E-02
DAV: 16 -0.904025604163E+02 -0.15127E-02 -0.10545E-03 677 0.192E-01 0.395E-02
DAV: 17 -0.904032865189E+02 -0.72610E-03 -0.14214E-04 672 0.818E-02 0.293E-02
DAV: 18 -0.904036033082E+02 -0.31679E-03 -0.10776E-04 672 0.511E-02 0.983E-03
DAV: 19 -0.904037753977E+02 -0.17209E-03 -0.41774E-05 653 0.325E-02 0.771E-03
DAV: 20 -0.904038045517E+02 -0.29154E-04 -0.35009E-06 520 0.142E-02 0.618E-03
DAV: 21 -0.904038545120E+02 -0.49960E-04 -0.95254E-06 409 0.158E-02 0.411E-03
DAV: 22 -0.904038650766E+02 -0.10565E-04 -0.44999E-06 488 0.125E-02 0.270E-03
DAV: 23 -0.904038668136E+02 -0.17370E-05 -0.17897E-06 544 0.867E-03
1 F= -.90403867E+02 E0= -.90410495E+02 d E =0.198835E-01