iterations/neb0_image07_iter196_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 0.371214466429E+03 0.37121E+03 -0.14322E+04 632 0.799E+02
DAV: 2 0.345254349081E+01 -0.36776E+03 -0.35534E+03 869 0.194E+02
DAV: 3 -0.963402797171E+02 -0.99793E+02 -0.99477E+02 669 0.116E+02
DAV: 4 -0.101068243091E+03 -0.47280E+01 -0.47156E+01 712 0.288E+01
DAV: 5 -0.101165433303E+03 -0.97190E-01 -0.97132E-01 728 0.368E+00 0.226E+01
DAV: 6 -0.925691500646E+02 0.85963E+01 -0.30603E+01 717 0.299E+01 0.118E+01
DAV: 7 -0.917245278181E+02 0.84462E+00 -0.17324E+00 712 0.618E+00 0.479E+00
DAV: 8 -0.913541274318E+02 0.37040E+00 -0.53351E-01 728 0.397E+00 0.162E+00
DAV: 9 -0.912730211553E+02 0.81106E-01 -0.12984E-01 728 0.157E+00 0.419E-01
DAV: 10 -0.912644080913E+02 0.86131E-02 -0.41077E-02 725 0.106E+00 0.293E-01
DAV: 11 -0.912687612787E+02 -0.43532E-02 -0.12033E-02 616 0.575E-01 0.145E-01
DAV: 12 -0.912714089334E+02 -0.26477E-02 -0.23817E-03 637 0.259E-01 0.897E-02
DAV: 13 -0.912754662909E+02 -0.40574E-02 -0.17650E-03 634 0.212E-01 0.551E-02
DAV: 14 -0.912777958499E+02 -0.23296E-02 -0.55397E-04 864 0.191E-01 0.363E-02
DAV: 15 -0.912799528779E+02 -0.21570E-02 -0.40048E-04 647 0.100E-01 0.311E-02
DAV: 16 -0.912810630033E+02 -0.11101E-02 -0.11713E-04 696 0.607E-02 0.154E-02
DAV: 17 -0.912819436088E+02 -0.88061E-03 -0.16280E-04 709 0.674E-02 0.160E-02
DAV: 18 -0.912821627243E+02 -0.21912E-03 -0.38169E-05 624 0.437E-02 0.679E-03
DAV: 19 -0.912822244305E+02 -0.61706E-04 -0.20857E-05 536 0.249E-02 0.627E-03
DAV: 20 -0.912822685651E+02 -0.44135E-04 -0.44760E-06 458 0.153E-02 0.351E-03
DAV: 21 -0.912823030264E+02 -0.34461E-04 -0.86658E-06 436 0.180E-02 0.284E-03
DAV: 22 -0.912823129484E+02 -0.99220E-05 -0.19318E-06 496 0.109E-02
1 F= -.91282313E+02 E0= -.91287541E+02 d E =0.156831E-01