iterations/neb0_image07_iter159_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 0.370553149361E+03 0.37055E+03 -0.14312E+04 632 0.799E+02
DAV: 2 0.324979297443E+01 -0.36730E+03 -0.35475E+03 869 0.194E+02
DAV: 3 -0.962566095195E+02 -0.99506E+02 -0.99181E+02 677 0.116E+02
DAV: 4 -0.100923645348E+03 -0.46670E+01 -0.46555E+01 696 0.287E+01
DAV: 5 -0.101021366285E+03 -0.97721E-01 -0.97649E-01 736 0.368E+00 0.225E+01
DAV: 6 -0.924910516859E+02 0.85303E+01 -0.30453E+01 736 0.298E+01 0.118E+01
DAV: 7 -0.916621317153E+02 0.82892E+00 -0.17250E+00 712 0.618E+00 0.477E+00
DAV: 8 -0.912958037551E+02 0.36633E+00 -0.52433E-01 728 0.395E+00 0.164E+00
DAV: 9 -0.912142924988E+02 0.81511E-01 -0.12931E-01 728 0.159E+00 0.420E-01
DAV: 10 -0.912059008602E+02 0.83916E-02 -0.39993E-02 768 0.105E+00 0.289E-01
DAV: 11 -0.912102086419E+02 -0.43078E-02 -0.11532E-02 608 0.570E-01 0.143E-01
DAV: 12 -0.912126013556E+02 -0.23927E-02 -0.22143E-03 639 0.254E-01 0.904E-02
DAV: 13 -0.912166382690E+02 -0.40369E-02 -0.17604E-03 631 0.217E-01 0.518E-02
DAV: 14 -0.912189084733E+02 -0.22702E-02 -0.37052E-04 880 0.149E-01 0.302E-02
DAV: 15 -0.912212493567E+02 -0.23409E-02 -0.36888E-04 655 0.919E-02 0.288E-02
DAV: 16 -0.912223596374E+02 -0.11103E-02 -0.10068E-04 688 0.503E-02 0.122E-02
DAV: 17 -0.912232002825E+02 -0.84065E-03 -0.13917E-04 655 0.565E-02 0.144E-02
DAV: 18 -0.912233667398E+02 -0.16646E-03 -0.29792E-05 624 0.355E-02 0.701E-03
DAV: 19 -0.912234298216E+02 -0.63082E-04 -0.19236E-05 506 0.260E-02 0.646E-03
DAV: 20 -0.912234626786E+02 -0.32857E-04 -0.59931E-06 488 0.164E-02 0.451E-03
DAV: 21 -0.912234881885E+02 -0.25510E-04 -0.92205E-06 406 0.206E-02 0.297E-03
DAV: 22 -0.912234965090E+02 -0.83205E-05 -0.22867E-06 464 0.997E-03
1 F= -.91223497E+02 E0= -.91228496E+02 d E =0.149977E-01