iterations/neb0_image08_iter230_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 0.373639172425E+03 0.37364E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.268059449390E+01 -0.37096E+03 -0.35926E+03 877 0.196E+02
DAV: 3 -0.966499374472E+02 -0.99331E+02 -0.99027E+02 656 0.116E+02
DAV: 4 -0.101228170250E+03 -0.45782E+01 -0.45663E+01 720 0.290E+01
DAV: 5 -0.101318821500E+03 -0.90651E-01 -0.90602E-01 728 0.368E+00 0.227E+01
DAV: 6 -0.926491563458E+02 0.86697E+01 -0.30973E+01 714 0.300E+01 0.119E+01
DAV: 7 -0.917890149929E+02 0.86014E+00 -0.17226E+00 720 0.613E+00 0.479E+00
DAV: 8 -0.914148098753E+02 0.37421E+00 -0.54641E-01 720 0.396E+00 0.161E+00
DAV: 9 -0.913353310830E+02 0.79479E-01 -0.12997E-01 728 0.153E+00 0.418E-01
DAV: 10 -0.913274756949E+02 0.78554E-02 -0.43981E-02 744 0.106E+00 0.298E-01
DAV: 11 -0.913323361209E+02 -0.48604E-02 -0.12859E-02 608 0.588E-01 0.143E-01
DAV: 12 -0.913353244413E+02 -0.29883E-02 -0.26766E-03 634 0.222E-01 0.113E-01
DAV: 13 -0.913390618198E+02 -0.37374E-02 -0.24870E-03 639 0.261E-01 0.531E-02
DAV: 14 -0.913421183897E+02 -0.30566E-02 -0.70410E-04 653 0.153E-01 0.240E-02
DAV: 15 -0.913434964499E+02 -0.13781E-02 -0.13783E-04 680 0.612E-02 0.193E-02
DAV: 16 -0.913445831335E+02 -0.10867E-02 -0.15919E-04 636 0.709E-02 0.119E-02
DAV: 17 -0.913449568502E+02 -0.37372E-03 -0.30541E-05 600 0.315E-02 0.117E-02
DAV: 18 -0.913451557995E+02 -0.19895E-03 -0.36929E-05 629 0.338E-02 0.532E-03
DAV: 19 -0.913452306394E+02 -0.74840E-04 -0.75353E-06 472 0.151E-02 0.254E-03
DAV: 20 -0.913452550963E+02 -0.24457E-04 -0.42381E-06 461 0.879E-03 0.188E-03
DAV: 21 -0.913452643505E+02 -0.92542E-05 -0.12414E-06 440 0.484E-03
1 F= -.91345264E+02 E0= -.91350169E+02 d E =0.147132E-01