./iterations/neb0_image06_iter187_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 0.371635911419E+03 0.37164E+03 -0.14352E+04 640 0.799E+02
DAV: 2 0.446103894110E+01 -0.36717E+03 -0.35516E+03 861 0.193E+02
DAV: 3 -0.959968366858E+02 -0.10046E+03 -0.10011E+03 693 0.116E+02
DAV: 4 -0.100527503500E+03 -0.45307E+01 -0.45189E+01 720 0.279E+01
DAV: 5 -0.100617127041E+03 -0.89624E-01 -0.89580E-01 728 0.351E+00 0.227E+01
DAV: 6 -0.920427934459E+02 0.85743E+01 -0.30574E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.912016133372E+02 0.84118E+00 -0.17303E+00 720 0.624E+00 0.481E+00
DAV: 8 -0.908230602218E+02 0.37855E+00 -0.55244E-01 704 0.413E+00 0.165E+00
DAV: 9 -0.907351761425E+02 0.87884E-01 -0.12698E-01 720 0.157E+00 0.422E-01
DAV: 10 -0.907251233798E+02 0.10053E-01 -0.36718E-02 736 0.955E-01 0.285E-01
DAV: 11 -0.907292208779E+02 -0.40975E-02 -0.93993E-03 602 0.496E-01 0.143E-01
DAV: 12 -0.907320598809E+02 -0.28390E-02 -0.22066E-03 612 0.256E-01 0.823E-02
DAV: 13 -0.907359801976E+02 -0.39203E-02 -0.14527E-03 636 0.173E-01 0.617E-02
DAV: 14 -0.907395689182E+02 -0.35887E-02 -0.11649E-03 728 0.239E-01 0.435E-02
DAV: 15 -0.907411316108E+02 -0.15627E-02 -0.27235E-04 728 0.963E-02 0.408E-02
DAV: 16 -0.907424865233E+02 -0.13549E-02 -0.39896E-04 698 0.122E-01 0.183E-02
DAV: 17 -0.907432380436E+02 -0.75152E-03 -0.11329E-04 704 0.566E-02 0.143E-02
DAV: 18 -0.907434975655E+02 -0.25952E-03 -0.27223E-05 576 0.233E-02 0.831E-03
DAV: 19 -0.907436218085E+02 -0.12424E-03 -0.18566E-05 458 0.218E-02 0.265E-03
DAV: 20 -0.907436436906E+02 -0.21882E-04 -0.40003E-06 512 0.106E-02 0.177E-03
DAV: 21 -0.907436696604E+02 -0.25970E-04 -0.41018E-06 398 0.786E-03 0.206E-03
DAV: 22 -0.907436717106E+02 -0.20503E-05 -0.61612E-07 504 0.433E-03
1 F= -.90743672E+02 E0= -.90748165E+02 d E =0.134787E-01