iterations/neb0_image09_iter152_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 0.374375457183E+03 0.37438E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.331006146877E+01 -0.37107E+03 -0.35821E+03 869 0.196E+02
DAV: 3 -0.968204633172E+02 -0.10013E+03 -0.99800E+02 669 0.117E+02
DAV: 4 -0.101275511492E+03 -0.44550E+01 -0.44447E+01 720 0.283E+01
DAV: 5 -0.101361907946E+03 -0.86396E-01 -0.86357E-01 728 0.359E+00 0.227E+01
DAV: 6 -0.926807954630E+02 0.86811E+01 -0.30984E+01 728 0.301E+01 0.119E+01
DAV: 7 -0.918078722038E+02 0.87292E+00 -0.17336E+00 720 0.615E+00 0.480E+00
DAV: 8 -0.914304777192E+02 0.37739E+00 -0.54469E-01 712 0.395E+00 0.163E+00
DAV: 9 -0.913482531769E+02 0.82225E-01 -0.13224E-01 712 0.156E+00 0.425E-01
DAV: 10 -0.913397786046E+02 0.84746E-02 -0.44598E-02 760 0.111E+00 0.300E-01
DAV: 11 -0.913440866053E+02 -0.43080E-02 -0.11950E-02 616 0.571E-01 0.134E-01
DAV: 12 -0.913472385908E+02 -0.31520E-02 -0.29339E-03 634 0.248E-01 0.115E-01
DAV: 13 -0.913508177068E+02 -0.35791E-02 -0.13486E-03 720 0.206E-01 0.427E-02
DAV: 14 -0.913538980204E+02 -0.30803E-02 -0.58845E-04 664 0.128E-01 0.369E-02
DAV: 15 -0.913557117063E+02 -0.18137E-02 -0.16369E-04 688 0.763E-02 0.338E-02
DAV: 16 -0.913570531206E+02 -0.13414E-02 -0.32460E-04 663 0.871E-02 0.182E-02
DAV: 17 -0.913574540402E+02 -0.40092E-03 -0.66987E-05 680 0.564E-02 0.118E-02
DAV: 18 -0.913576892183E+02 -0.23518E-03 -0.39599E-05 632 0.273E-02 0.113E-02
DAV: 19 -0.913577357027E+02 -0.46484E-04 -0.74939E-06 512 0.186E-02 0.537E-03
DAV: 20 -0.913577701896E+02 -0.34487E-04 -0.15136E-05 415 0.248E-02 0.426E-03
DAV: 21 -0.913577866958E+02 -0.16506E-04 -0.35070E-06 464 0.105E-02 0.358E-03
DAV: 22 -0.913577915755E+02 -0.48797E-05 -0.16925E-06 488 0.831E-03
1 F= -.91357792E+02 E0= -.91362556E+02 d E =0.142931E-01