iterations/neb0_image08_iter54_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 0.375387617185E+03 0.37539E+03 -0.14275E+04 624 0.799E+02
DAV: 2 0.376351357163E+01 -0.37162E+03 -0.35799E+03 869 0.196E+02
DAV: 3 -0.965561171069E+02 -0.10032E+03 -0.99987E+02 680 0.117E+02
DAV: 4 -0.101017788050E+03 -0.44617E+01 -0.44515E+01 704 0.280E+01
DAV: 5 -0.101106192452E+03 -0.88404E-01 -0.88368E-01 736 0.353E+00 0.226E+01
DAV: 6 -0.925339853098E+02 0.85722E+01 -0.30782E+01 693 0.302E+01 0.118E+01
DAV: 7 -0.916821308306E+02 0.85185E+00 -0.16698E+00 728 0.614E+00 0.480E+00
DAV: 8 -0.913048004349E+02 0.37733E+00 -0.55720E-01 704 0.403E+00 0.162E+00
DAV: 9 -0.912213816157E+02 0.83419E-01 -0.12746E-01 712 0.153E+00 0.424E-01
DAV: 10 -0.912118949868E+02 0.94866E-02 -0.47574E-02 720 0.111E+00 0.310E-01
DAV: 11 -0.912168889352E+02 -0.49939E-02 -0.14752E-02 608 0.622E-01 0.165E-01
DAV: 12 -0.912197398949E+02 -0.28510E-02 -0.32821E-03 641 0.249E-01 0.133E-01
DAV: 13 -0.912237107453E+02 -0.39709E-02 -0.24933E-03 680 0.288E-01 0.520E-02
DAV: 14 -0.912265776995E+02 -0.28670E-02 -0.48680E-04 664 0.112E-01 0.409E-02
DAV: 15 -0.912287570040E+02 -0.21793E-02 -0.19001E-04 653 0.613E-02 0.329E-02
DAV: 16 -0.912298187339E+02 -0.10617E-02 -0.36175E-04 669 0.928E-02 0.253E-02
DAV: 17 -0.912300834313E+02 -0.26470E-03 -0.48619E-05 616 0.482E-02 0.131E-02
DAV: 18 -0.912303302965E+02 -0.24687E-03 -0.54448E-05 559 0.329E-02 0.861E-03
DAV: 19 -0.912303636012E+02 -0.33305E-04 -0.59825E-06 520 0.206E-02 0.405E-03
DAV: 20 -0.912303998401E+02 -0.36239E-04 -0.12837E-05 398 0.217E-02 0.507E-03
DAV: 21 -0.912304187849E+02 -0.18945E-04 -0.26707E-06 469 0.897E-03 0.417E-03
DAV: 22 -0.912304241637E+02 -0.53788E-05 -0.23176E-06 426 0.103E-02
1 F= -.91230424E+02 E0= -.91235469E+02 d E =0.151350E-01