iterations/neb0_image01_iter13_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 0.365563415859E+03 0.36556E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.255042058471E+01 -0.36301E+03 -0.35113E+03 847 0.195E+02
DAV: 3 -0.956997273036E+02 -0.98250E+02 -0.97928E+02 672 0.116E+02
DAV: 4 -0.100114864362E+03 -0.44151E+01 -0.44043E+01 704 0.281E+01
DAV: 5 -0.100201432862E+03 -0.86568E-01 -0.86523E-01 736 0.352E+00 0.222E+01
DAV: 6 -0.914808937358E+02 0.87205E+01 -0.31486E+01 704 0.301E+01 0.116E+01
DAV: 7 -0.906845733632E+02 0.79632E+00 -0.18363E+00 712 0.631E+00 0.483E+00
DAV: 8 -0.903070138558E+02 0.37756E+00 -0.54807E-01 720 0.426E+00 0.171E+00
DAV: 9 -0.902196485865E+02 0.87365E-01 -0.13985E-01 736 0.165E+00 0.429E-01
DAV: 10 -0.902142177134E+02 0.54309E-02 -0.45712E-02 712 0.121E+00 0.316E-01
DAV: 11 -0.902183352532E+02 -0.41175E-02 -0.67956E-03 608 0.511E-01 0.129E-01
DAV: 12 -0.902219981790E+02 -0.36629E-02 -0.70871E-03 624 0.459E-01 0.138E-01
DAV: 13 -0.902243359681E+02 -0.23378E-02 -0.20735E-03 848 0.361E-01 0.720E-02
DAV: 14 -0.902273699633E+02 -0.30340E-02 -0.12694E-03 626 0.163E-01 0.594E-02
DAV: 15 -0.902293170535E+02 -0.19471E-02 -0.28738E-04 680 0.906E-02 0.471E-02
DAV: 16 -0.902307366615E+02 -0.14196E-02 -0.83684E-04 653 0.173E-01 0.361E-02
DAV: 17 -0.902313791521E+02 -0.64249E-03 -0.10107E-04 661 0.693E-02 0.295E-02
DAV: 18 -0.902317519410E+02 -0.37279E-03 -0.15035E-04 650 0.662E-02 0.778E-03
DAV: 19 -0.902318501864E+02 -0.98245E-04 -0.17547E-05 488 0.238E-02 0.725E-03
DAV: 20 -0.902319114458E+02 -0.61259E-04 -0.12480E-05 439 0.180E-02 0.895E-03
DAV: 21 -0.902319492318E+02 -0.37786E-04 -0.88232E-06 450 0.240E-02 0.291E-03
DAV: 22 -0.902319565427E+02 -0.73109E-05 -0.12023E-05 496 0.182E-02
1 F= -.90231957E+02 E0= -.90237963E+02 d E =0.180205E-01