iterations/neb0_image07_iter57_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 0.377112686978E+03 0.37711E+03 -0.14275E+04 624 0.799E+02
DAV: 2 0.433939646594E+01 -0.37277E+03 -0.35952E+03 869 0.196E+02
DAV: 3 -0.962244024532E+02 -0.10056E+03 -0.10023E+03 672 0.117E+02
DAV: 4 -0.100717795844E+03 -0.44934E+01 -0.44830E+01 704 0.285E+01
DAV: 5 -0.100806808718E+03 -0.89013E-01 -0.88972E-01 720 0.360E+00 0.226E+01
DAV: 6 -0.922539600029E+02 0.85528E+01 -0.30621E+01 693 0.302E+01 0.118E+01
DAV: 7 -0.914000893258E+02 0.85387E+00 -0.16458E+00 728 0.614E+00 0.481E+00
DAV: 8 -0.910201690732E+02 0.37992E+00 -0.55386E-01 704 0.408E+00 0.162E+00
DAV: 9 -0.909357764208E+02 0.84393E-01 -0.13163E-01 712 0.156E+00 0.425E-01
DAV: 10 -0.909259850228E+02 0.97914E-02 -0.48182E-02 736 0.114E+00 0.312E-01
DAV: 11 -0.909301452726E+02 -0.41602E-02 -0.11370E-02 616 0.565E-01 0.131E-01
DAV: 12 -0.909333476000E+02 -0.32023E-02 -0.37786E-03 605 0.308E-01 0.134E-01
DAV: 13 -0.909367479856E+02 -0.34004E-02 -0.14135E-03 725 0.250E-01 0.595E-02
DAV: 14 -0.909395480491E+02 -0.28001E-02 -0.92250E-04 672 0.140E-01 0.498E-02
DAV: 15 -0.909423103366E+02 -0.27623E-02 -0.30089E-04 637 0.897E-02 0.378E-02
DAV: 16 -0.909434833321E+02 -0.11730E-02 -0.36194E-04 677 0.972E-02 0.233E-02
DAV: 17 -0.909441253293E+02 -0.64200E-03 -0.99847E-05 709 0.623E-02 0.160E-02
DAV: 18 -0.909443064895E+02 -0.18116E-03 -0.40653E-05 688 0.315E-02 0.120E-02
DAV: 19 -0.909443838182E+02 -0.77329E-04 -0.15055E-05 434 0.282E-02 0.459E-03
DAV: 20 -0.909444108582E+02 -0.27040E-04 -0.10224E-05 512 0.181E-02 0.309E-03
DAV: 21 -0.909444420003E+02 -0.31142E-04 -0.39636E-06 404 0.946E-03 0.228E-03
DAV: 22 -0.909444525061E+02 -0.10506E-04 -0.14163E-06 477 0.535E-03 0.175E-03
DAV: 23 -0.909444572728E+02 -0.47668E-05 -0.15242E-06 422 0.797E-03
1 F= -.90944457E+02 E0= -.90949571E+02 d E =0.153402E-01