./iterations/neb0_image07_iter296_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 0.373150659338E+03 0.37315E+03 -0.14326E+04 632 0.799E+02
DAV: 2 0.382874737194E+01 -0.36932E+03 -0.35828E+03 866 0.194E+02
DAV: 3 -0.965075504116E+02 -0.10034E+03 -0.10000E+03 656 0.117E+02
DAV: 4 -0.101247060391E+03 -0.47395E+01 -0.47273E+01 712 0.293E+01
DAV: 5 -0.101340126283E+03 -0.93066E-01 -0.93025E-01 728 0.370E+00 0.229E+01
DAV: 6 -0.926083960139E+02 0.87317E+01 -0.31063E+01 717 0.302E+01 0.120E+01
DAV: 7 -0.917244376486E+02 0.88396E+00 -0.17304E+00 720 0.615E+00 0.478E+00
DAV: 8 -0.913438445344E+02 0.38059E+00 -0.52575E-01 736 0.388E+00 0.165E+00
DAV: 9 -0.912563385529E+02 0.87506E-01 -0.13321E-01 736 0.154E+00 0.426E-01
DAV: 10 -0.912467919202E+02 0.95466E-02 -0.47607E-02 781 0.113E+00 0.306E-01
DAV: 11 -0.912518143946E+02 -0.50225E-02 -0.15165E-02 610 0.656E-01 0.161E-01
DAV: 12 -0.912542635636E+02 -0.24492E-02 -0.26869E-03 639 0.239E-01 0.120E-01
DAV: 13 -0.912585728127E+02 -0.43092E-02 -0.37888E-03 639 0.314E-01 0.665E-02
DAV: 14 -0.912610625848E+02 -0.24898E-02 -0.70824E-04 696 0.163E-01 0.271E-02
DAV: 15 -0.912636817530E+02 -0.26192E-02 -0.37839E-04 647 0.826E-02 0.224E-02
DAV: 16 -0.912647427510E+02 -0.10610E-02 -0.10132E-04 725 0.630E-02 0.122E-02
DAV: 17 -0.912652843485E+02 -0.54160E-03 -0.10838E-04 645 0.488E-02 0.137E-02
DAV: 18 -0.912653993259E+02 -0.11498E-03 -0.30145E-05 640 0.424E-02 0.309E-03
DAV: 19 -0.912654796685E+02 -0.80343E-04 -0.14108E-05 406 0.172E-02 0.372E-03
DAV: 20 -0.912655051340E+02 -0.25466E-04 -0.33505E-06 472 0.705E-03 0.294E-03
DAV: 21 -0.912655138496E+02 -0.87156E-05 -0.23911E-06 430 0.945E-03
1 F= -.91265514E+02 E0= -.91270324E+02 d E =0.144313E-01