./iterations/neb0_image08_iter278_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 0.374480055770E+03 0.37448E+03 -0.14285E+04 624 0.799E+02
DAV: 2 0.337975798984E+01 -0.37110E+03 -0.35972E+03 877 0.196E+02
DAV: 3 -0.965382649711E+02 -0.99918E+02 -0.99589E+02 656 0.116E+02
DAV: 4 -0.101233937474E+03 -0.46957E+01 -0.46848E+01 712 0.294E+01
DAV: 5 -0.101326448731E+03 -0.92511E-01 -0.92472E-01 720 0.374E+00 0.227E+01
DAV: 6 -0.926596229818E+02 0.86668E+01 -0.30802E+01 717 0.299E+01 0.119E+01
DAV: 7 -0.917874993551E+02 0.87212E+00 -0.16972E+00 728 0.612E+00 0.480E+00
DAV: 8 -0.914117785252E+02 0.37572E+00 -0.55437E-01 728 0.402E+00 0.160E+00
DAV: 9 -0.913328775629E+02 0.78901E-01 -0.12816E-01 728 0.153E+00 0.421E-01
DAV: 10 -0.913244765696E+02 0.84010E-02 -0.45071E-02 728 0.108E+00 0.305E-01
DAV: 11 -0.913293253417E+02 -0.48488E-02 -0.14095E-02 608 0.607E-01 0.154E-01
DAV: 12 -0.913323769871E+02 -0.30516E-02 -0.29420E-03 634 0.232E-01 0.114E-01
DAV: 13 -0.913361697468E+02 -0.37928E-02 -0.26978E-03 647 0.276E-01 0.574E-02
DAV: 14 -0.913392615111E+02 -0.30918E-02 -0.81934E-04 664 0.165E-01 0.247E-02
DAV: 15 -0.913407290978E+02 -0.14676E-02 -0.15882E-04 672 0.638E-02 0.186E-02
DAV: 16 -0.913418060531E+02 -0.10770E-02 -0.17878E-04 650 0.802E-02 0.137E-02
DAV: 17 -0.913421513011E+02 -0.34525E-03 -0.34179E-05 680 0.326E-02 0.117E-02
DAV: 18 -0.913422585422E+02 -0.10724E-03 -0.16261E-05 504 0.264E-02 0.637E-03
DAV: 19 -0.913424166109E+02 -0.15807E-03 -0.23715E-05 500 0.206E-02 0.380E-03
DAV: 20 -0.913424350576E+02 -0.18447E-04 -0.17439E-06 520 0.774E-03 0.262E-03
DAV: 21 -0.913424590302E+02 -0.23973E-04 -0.56058E-06 406 0.150E-02 0.253E-03
DAV: 22 -0.913424613948E+02 -0.23646E-05 -0.11050E-06 501 0.648E-03
1 F= -.91342461E+02 E0= -.91347196E+02 d E =0.142024E-01