iterations/neb0_image09_iter184_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 0.374285581004E+03 0.37429E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.323984652920E+01 -0.37105E+03 -0.35831E+03 869 0.196E+02
DAV: 3 -0.968308626556E+02 -0.10007E+03 -0.99742E+02 669 0.117E+02
DAV: 4 -0.101278602582E+03 -0.44477E+01 -0.44375E+01 720 0.283E+01
DAV: 5 -0.101364965763E+03 -0.86363E-01 -0.86323E-01 728 0.359E+00 0.227E+01
DAV: 6 -0.926841080031E+02 0.86809E+01 -0.30978E+01 717 0.301E+01 0.119E+01
DAV: 7 -0.918098079232E+02 0.87430E+00 -0.17221E+00 728 0.614E+00 0.480E+00
DAV: 8 -0.914331695971E+02 0.37664E+00 -0.54498E-01 712 0.395E+00 0.163E+00
DAV: 9 -0.913519726779E+02 0.81197E-01 -0.13141E-01 712 0.155E+00 0.424E-01
DAV: 10 -0.913437204638E+02 0.82522E-02 -0.44596E-02 776 0.111E+00 0.300E-01
DAV: 11 -0.913481374738E+02 -0.44170E-02 -0.12056E-02 624 0.573E-01 0.133E-01
DAV: 12 -0.913513129271E+02 -0.31755E-02 -0.29154E-03 623 0.241E-01 0.114E-01
DAV: 13 -0.913549485192E+02 -0.36356E-02 -0.15268E-03 725 0.216E-01 0.416E-02
DAV: 14 -0.913580314524E+02 -0.30829E-02 -0.51229E-04 664 0.122E-01 0.343E-02
DAV: 15 -0.913596958927E+02 -0.16644E-02 -0.14832E-04 656 0.744E-02 0.325E-02
DAV: 16 -0.913609773544E+02 -0.12815E-02 -0.31903E-04 664 0.878E-02 0.199E-02
DAV: 17 -0.913612568877E+02 -0.27953E-03 -0.56182E-05 680 0.557E-02 0.119E-02
DAV: 18 -0.913615232667E+02 -0.26638E-03 -0.47604E-05 562 0.306E-02 0.107E-02
DAV: 19 -0.913615879349E+02 -0.64668E-04 -0.72743E-06 496 0.178E-02 0.582E-03
DAV: 20 -0.913616206118E+02 -0.32677E-04 -0.16283E-05 440 0.265E-02 0.380E-03
DAV: 21 -0.913616365679E+02 -0.15956E-04 -0.34621E-06 453 0.106E-02 0.364E-03
DAV: 22 -0.913616419457E+02 -0.53778E-05 -0.11365E-06 472 0.612E-03
1 F= -.91361642E+02 E0= -.91366495E+02 d E =0.145597E-01