./iterations/neb0_image07_iter165_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 0.370686885326E+03 0.37069E+03 -0.14316E+04 632 0.799E+02
DAV: 2 0.318907403697E+01 -0.36750E+03 -0.35485E+03 869 0.194E+02
DAV: 3 -0.963731821565E+02 -0.99562E+02 -0.99247E+02 680 0.116E+02
DAV: 4 -0.101003613854E+03 -0.46304E+01 -0.46181E+01 688 0.283E+01
DAV: 5 -0.101099781461E+03 -0.96168E-01 -0.96095E-01 736 0.364E+00 0.225E+01
DAV: 6 -0.925368074238E+02 0.85630E+01 -0.30517E+01 733 0.299E+01 0.118E+01
DAV: 7 -0.916908291966E+02 0.84598E+00 -0.17228E+00 712 0.615E+00 0.478E+00
DAV: 8 -0.913206181290E+02 0.37021E+00 -0.52484E-01 728 0.393E+00 0.164E+00
DAV: 9 -0.912383696025E+02 0.82249E-01 -0.13092E-01 728 0.158E+00 0.423E-01
DAV: 10 -0.912297707536E+02 0.85988E-02 -0.40732E-02 765 0.107E+00 0.288E-01
DAV: 11 -0.912339040942E+02 -0.41333E-02 -0.10597E-02 608 0.543E-01 0.132E-01
DAV: 12 -0.912368358881E+02 -0.29318E-02 -0.26040E-03 650 0.271E-01 0.928E-02
DAV: 13 -0.912405075523E+02 -0.36717E-02 -0.10366E-03 642 0.167E-01 0.559E-02
DAV: 14 -0.912432585868E+02 -0.27510E-02 -0.55782E-04 712 0.159E-01 0.322E-02
DAV: 15 -0.912451326486E+02 -0.18741E-02 -0.23079E-04 693 0.966E-02 0.321E-02
DAV: 16 -0.912465969395E+02 -0.14643E-02 -0.19583E-04 669 0.641E-02 0.117E-02
DAV: 17 -0.912471323521E+02 -0.53541E-03 -0.63110E-05 688 0.424E-02 0.117E-02
DAV: 18 -0.912474675582E+02 -0.33521E-03 -0.47298E-05 636 0.309E-02 0.447E-03
DAV: 19 -0.912475030076E+02 -0.35449E-04 -0.28996E-06 520 0.100E-02 0.256E-03
DAV: 20 -0.912475562184E+02 -0.53211E-04 -0.83612E-06 409 0.151E-02 0.254E-03
DAV: 21 -0.912475614416E+02 -0.52233E-05 -0.13013E-06 504 0.714E-03
1 F= -.91247561E+02 E0= -.91253489E+02 d E =0.177835E-01