iterations/neb0_image03_iter189_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 0.364075615315E+03 0.36408E+03 -0.14324E+04 632 0.799E+02
DAV: 2 0.285962343983E-01 -0.36405E+03 -0.35403E+03 858 0.195E+02
DAV: 3 -0.960787260056E+02 -0.96107E+02 -0.95800E+02 666 0.115E+02
DAV: 4 -0.100264362181E+03 -0.41856E+01 -0.41739E+01 720 0.273E+01
DAV: 5 -0.100346513367E+03 -0.82151E-01 -0.82115E-01 736 0.345E+00 0.222E+01
DAV: 6 -0.917174299381E+02 0.86291E+01 -0.30961E+01 680 0.298E+01 0.117E+01
DAV: 7 -0.908783303268E+02 0.83910E+00 -0.18366E+00 704 0.640E+00 0.483E+00
DAV: 8 -0.904855926573E+02 0.39274E+00 -0.55034E-01 696 0.425E+00 0.172E+00
DAV: 9 -0.903875638448E+02 0.98029E-01 -0.11863E-01 712 0.218E+00 0.468E-01
DAV: 10 -0.903798359195E+02 0.77279E-02 -0.52669E-02 712 0.124E+00 0.373E-01
DAV: 11 -0.903818225557E+02 -0.19866E-02 -0.12142E-02 664 0.788E-01 0.159E-01
DAV: 12 -0.903844934291E+02 -0.26709E-02 -0.72485E-03 613 0.436E-01 0.149E-01
DAV: 13 -0.903878217804E+02 -0.33284E-02 -0.36780E-03 704 0.432E-01 0.831E-02
DAV: 14 -0.903920883555E+02 -0.42666E-02 -0.22678E-03 725 0.306E-01 0.850E-02
DAV: 15 -0.903937079525E+02 -0.16196E-02 -0.47265E-04 752 0.139E-01 0.439E-02
DAV: 16 -0.903959849636E+02 -0.22770E-02 -0.62820E-04 647 0.134E-01 0.288E-02
DAV: 17 -0.903966138115E+02 -0.62885E-03 -0.74633E-05 768 0.769E-02 0.187E-02
DAV: 18 -0.903973198862E+02 -0.70607E-03 -0.15870E-04 770 0.866E-02 0.152E-02
DAV: 19 -0.903979196902E+02 -0.59980E-03 -0.11838E-04 652 0.575E-02 0.106E-02
DAV: 20 -0.903980234742E+02 -0.10378E-03 -0.11335E-05 512 0.386E-02 0.666E-03
DAV: 21 -0.903981004860E+02 -0.77012E-04 -0.58895E-05 621 0.502E-02 0.974E-03
DAV: 22 -0.903981214665E+02 -0.20981E-04 -0.10461E-05 498 0.259E-02 0.456E-03
DAV: 23 -0.903981442340E+02 -0.22767E-04 -0.26701E-05 583 0.262E-02 0.885E-03
DAV: 24 -0.903981500461E+02 -0.58122E-05 -0.13668E-06 472 0.142E-02
1 F= -.90398150E+02 E0= -.90404699E+02 d E =0.196454E-01