./iterations/neb0_image09_iter203_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 0.374149993105E+03 0.37415E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.325457993872E+01 -0.37090E+03 -0.35821E+03 869 0.196E+02
DAV: 3 -0.968318775887E+02 -0.10009E+03 -0.99759E+02 669 0.117E+02
DAV: 4 -0.101279986837E+03 -0.44481E+01 -0.44378E+01 720 0.283E+01
DAV: 5 -0.101366322763E+03 -0.86336E-01 -0.86296E-01 728 0.359E+00 0.227E+01
DAV: 6 -0.926825524780E+02 0.86838E+01 -0.31024E+01 725 0.301E+01 0.119E+01
DAV: 7 -0.918108887771E+02 0.87166E+00 -0.17258E+00 720 0.614E+00 0.480E+00
DAV: 8 -0.914345623624E+02 0.37633E+00 -0.54341E-01 712 0.394E+00 0.163E+00
DAV: 9 -0.913530654029E+02 0.81497E-01 -0.13168E-01 712 0.155E+00 0.424E-01
DAV: 10 -0.913448113728E+02 0.82540E-02 -0.44639E-02 776 0.111E+00 0.300E-01
DAV: 11 -0.913492536045E+02 -0.44422E-02 -0.12161E-02 616 0.575E-01 0.134E-01
DAV: 12 -0.913524333893E+02 -0.31798E-02 -0.28951E-03 623 0.242E-01 0.113E-01
DAV: 13 -0.913560267725E+02 -0.35934E-02 -0.15469E-03 725 0.216E-01 0.419E-02
DAV: 14 -0.913591427709E+02 -0.31160E-02 -0.53261E-04 664 0.130E-01 0.328E-02
DAV: 15 -0.913607260230E+02 -0.15833E-02 -0.14197E-04 656 0.710E-02 0.323E-02
DAV: 16 -0.913620658071E+02 -0.13398E-02 -0.32502E-04 656 0.924E-02 0.193E-02
DAV: 17 -0.913623527636E+02 -0.28696E-03 -0.52757E-05 688 0.556E-02 0.123E-02
DAV: 18 -0.913626059898E+02 -0.25323E-03 -0.49354E-05 613 0.331E-02 0.106E-02
DAV: 19 -0.913626924800E+02 -0.86490E-04 -0.81970E-06 488 0.184E-02 0.557E-03
DAV: 20 -0.913627277104E+02 -0.35230E-04 -0.15854E-05 432 0.255E-02 0.353E-03
DAV: 21 -0.913627431199E+02 -0.15410E-04 -0.32802E-06 456 0.103E-02 0.324E-03
DAV: 22 -0.913627487862E+02 -0.56663E-05 -0.12107E-06 464 0.626E-03
1 F= -.91362749E+02 E0= -.91367544E+02 d E =0.143843E-01