./iterations/neb0_image06_iter178_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 0.370864422761E+03 0.37086E+03 -0.14347E+04 640 0.799E+02
DAV: 2 0.330003802712E+01 -0.36756E+03 -0.35559E+03 877 0.193E+02
DAV: 3 -0.959860914381E+02 -0.99286E+02 -0.98944E+02 685 0.116E+02
DAV: 4 -0.100510378153E+03 -0.45243E+01 -0.45126E+01 720 0.279E+01
DAV: 5 -0.100599672649E+03 -0.89294E-01 -0.89253E-01 728 0.352E+00 0.226E+01
DAV: 6 -0.920489282539E+02 0.85507E+01 -0.30551E+01 701 0.301E+01 0.118E+01
DAV: 7 -0.912148230920E+02 0.83411E+00 -0.17304E+00 720 0.626E+00 0.480E+00
DAV: 8 -0.908367528009E+02 0.37807E+00 -0.55964E-01 720 0.414E+00 0.164E+00
DAV: 9 -0.907493357030E+02 0.87417E-01 -0.12711E-01 720 0.157E+00 0.422E-01
DAV: 10 -0.907391192162E+02 0.10216E-01 -0.36723E-02 736 0.948E-01 0.284E-01
DAV: 11 -0.907430635311E+02 -0.39443E-02 -0.88918E-03 596 0.478E-01 0.139E-01
DAV: 12 -0.907461279441E+02 -0.30644E-02 -0.23633E-03 623 0.269E-01 0.819E-02
DAV: 13 -0.907497775461E+02 -0.36496E-02 -0.12352E-03 633 0.158E-01 0.656E-02
DAV: 14 -0.907538695481E+02 -0.40920E-02 -0.16041E-03 704 0.266E-01 0.542E-02
DAV: 15 -0.907549167540E+02 -0.10472E-02 -0.27350E-04 768 0.113E-01 0.427E-02
DAV: 16 -0.907563554377E+02 -0.14387E-02 -0.49484E-04 709 0.132E-01 0.217E-02
DAV: 17 -0.907570749555E+02 -0.71952E-03 -0.10677E-04 712 0.604E-02 0.128E-02
DAV: 18 -0.907573684014E+02 -0.29345E-03 -0.36481E-05 592 0.250E-02 0.839E-03
DAV: 19 -0.907574914928E+02 -0.12309E-03 -0.14150E-05 448 0.193E-02 0.315E-03
DAV: 20 -0.907575232364E+02 -0.31744E-04 -0.67876E-06 480 0.127E-02 0.254E-03
DAV: 21 -0.907575444303E+02 -0.21194E-04 -0.31906E-06 420 0.703E-03 0.257E-03
DAV: 22 -0.907575467571E+02 -0.23268E-05 -0.71669E-07 504 0.470E-03
1 F= -.90757547E+02 E0= -.90762187E+02 d E =0.139202E-01