iterations/neb0_image09_iter181_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 0.374105331261E+03 0.37411E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.323045923828E+01 -0.37087E+03 -0.35814E+03 869 0.196E+02
DAV: 3 -0.966290799053E+02 -0.99860E+02 -0.99527E+02 653 0.117E+02
DAV: 4 -0.101246811553E+03 -0.46177E+01 -0.46070E+01 720 0.291E+01
DAV: 5 -0.101338050460E+03 -0.91239E-01 -0.91198E-01 728 0.370E+00 0.227E+01
DAV: 6 -0.926771473733E+02 0.86609E+01 -0.30921E+01 717 0.301E+01 0.119E+01
DAV: 7 -0.918092753797E+02 0.86787E+00 -0.17156E+00 728 0.613E+00 0.479E+00
DAV: 8 -0.914337242861E+02 0.37555E+00 -0.54487E-01 712 0.396E+00 0.163E+00
DAV: 9 -0.913525028576E+02 0.81221E-01 -0.13114E-01 712 0.156E+00 0.423E-01
DAV: 10 -0.913442135189E+02 0.82893E-02 -0.43957E-02 768 0.110E+00 0.299E-01
DAV: 11 -0.913485161004E+02 -0.43026E-02 -0.11595E-02 616 0.560E-01 0.131E-01
DAV: 12 -0.913517667512E+02 -0.32507E-02 -0.28837E-03 623 0.248E-01 0.108E-01
DAV: 13 -0.913552605124E+02 -0.34938E-02 -0.11363E-03 669 0.187E-01 0.446E-02
DAV: 14 -0.913584559219E+02 -0.31954E-02 -0.73026E-04 664 0.148E-01 0.376E-02
DAV: 15 -0.913598802631E+02 -0.14243E-02 -0.14687E-04 736 0.821E-02 0.339E-02
DAV: 16 -0.913613180486E+02 -0.14378E-02 -0.31336E-04 648 0.861E-02 0.159E-02
DAV: 17 -0.913617838137E+02 -0.46577E-03 -0.61031E-05 680 0.500E-02 0.136E-02
DAV: 18 -0.913620191881E+02 -0.23537E-03 -0.42070E-05 629 0.299E-02 0.870E-03
DAV: 19 -0.913620678184E+02 -0.48630E-04 -0.53824E-06 504 0.126E-02 0.490E-03
DAV: 20 -0.913620981258E+02 -0.30307E-04 -0.53550E-06 429 0.146E-02 0.136E-03
DAV: 21 -0.913621188359E+02 -0.20710E-04 -0.32347E-06 442 0.786E-03 0.196E-03
DAV: 22 -0.913621216625E+02 -0.28266E-05 -0.52602E-07 504 0.374E-03
1 F= -.91362122E+02 E0= -.91366924E+02 d E =0.144080E-01