./iterations/neb0_image02_iter134_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 0.364501218464E+03 0.36450E+03 -0.14329E+04 632 0.799E+02
DAV: 2 0.388892311436E+01 -0.36061E+03 -0.34622E+03 834 0.195E+02
DAV: 3 -0.955983217303E+02 -0.99487E+02 -0.99154E+02 672 0.116E+02
DAV: 4 -0.100212503216E+03 -0.46142E+01 -0.46028E+01 720 0.285E+01
DAV: 5 -0.100301198998E+03 -0.88696E-01 -0.88655E-01 736 0.357E+00 0.222E+01
DAV: 6 -0.916749491831E+02 0.86262E+01 -0.30963E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908592198847E+02 0.81573E+00 -0.18495E+00 704 0.637E+00 0.484E+00
DAV: 8 -0.904755621771E+02 0.38366E+00 -0.55686E-01 704 0.429E+00 0.169E+00
DAV: 9 -0.903865528328E+02 0.89009E-01 -0.13969E-01 704 0.166E+00 0.433E-01
DAV: 10 -0.903805632920E+02 0.59895E-02 -0.48418E-02 704 0.130E+00 0.325E-01
DAV: 11 -0.903840907289E+02 -0.35274E-02 -0.70729E-03 608 0.499E-01 0.152E-01
DAV: 12 -0.903875066875E+02 -0.34160E-02 -0.79735E-03 632 0.497E-01 0.136E-01
DAV: 13 -0.903902877840E+02 -0.27811E-02 -0.17943E-03 968 0.353E-01 0.823E-02
DAV: 14 -0.903932888532E+02 -0.30011E-02 -0.13119E-03 637 0.170E-01 0.602E-02
DAV: 15 -0.903955572131E+02 -0.22684E-02 -0.41167E-04 661 0.110E-01 0.452E-02
DAV: 16 -0.903970132121E+02 -0.14560E-02 -0.67574E-04 661 0.149E-01 0.317E-02
DAV: 17 -0.903978772075E+02 -0.86400E-03 -0.14493E-04 661 0.809E-02 0.221E-02
DAV: 18 -0.903980698108E+02 -0.19260E-03 -0.61740E-05 688 0.391E-02 0.984E-03
DAV: 19 -0.903982366176E+02 -0.16681E-03 -0.31746E-05 538 0.292E-02 0.441E-03
DAV: 20 -0.903982802908E+02 -0.43673E-04 -0.38569E-06 480 0.131E-02 0.486E-03
DAV: 21 -0.903983111289E+02 -0.30838E-04 -0.62348E-06 434 0.153E-02 0.570E-03
DAV: 22 -0.903983327325E+02 -0.21604E-04 -0.48938E-06 466 0.149E-02 0.261E-03
DAV: 23 -0.903983355163E+02 -0.27838E-05 -0.45014E-06 520 0.114E-02
1 F= -.90398336E+02 E0= -.90404339E+02 d E =0.180117E-01