iterations/neb0_image02_iter233_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 0.365715201679E+03 0.36572E+03 -0.14292E+04 624 0.799E+02
DAV: 2 0.290139448708E+00 -0.36543E+03 -0.35492E+03 877 0.195E+02
DAV: 3 -0.956469873742E+02 -0.95937E+02 -0.95608E+02 629 0.115E+02
DAV: 4 -0.100203670160E+03 -0.45567E+01 -0.45459E+01 712 0.294E+01
DAV: 5 -0.100294574007E+03 -0.90904E-01 -0.90875E-01 744 0.373E+00 0.221E+01
DAV: 6 -0.916629751927E+02 0.86316E+01 -0.31017E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.908531385000E+02 0.80984E+00 -0.18135E+00 720 0.637E+00 0.484E+00
DAV: 8 -0.904726706327E+02 0.38047E+00 -0.55689E-01 696 0.432E+00 0.169E+00
DAV: 9 -0.903870856981E+02 0.85585E-01 -0.13532E-01 720 0.167E+00 0.429E-01
DAV: 10 -0.903822193017E+02 0.48664E-02 -0.48367E-02 704 0.124E+00 0.329E-01
DAV: 11 -0.903859079930E+02 -0.36887E-02 -0.76160E-03 632 0.600E-01 0.117E-01
DAV: 12 -0.903888424178E+02 -0.29344E-02 -0.62745E-03 632 0.397E-01 0.131E-01
DAV: 13 -0.903916277464E+02 -0.27853E-02 -0.18387E-03 861 0.328E-01 0.824E-02
DAV: 14 -0.903947097721E+02 -0.30820E-02 -0.12411E-03 621 0.162E-01 0.677E-02
DAV: 15 -0.903965870878E+02 -0.18773E-02 -0.33920E-04 693 0.108E-01 0.479E-02
DAV: 16 -0.903979964205E+02 -0.14093E-02 -0.91382E-04 672 0.173E-01 0.396E-02
DAV: 17 -0.903985802506E+02 -0.58383E-03 -0.14469E-04 808 0.835E-02 0.228E-02
DAV: 18 -0.903988449275E+02 -0.26468E-03 -0.72958E-05 680 0.431E-02 0.654E-03
DAV: 19 -0.903990575112E+02 -0.21258E-03 -0.29548E-05 561 0.248E-02 0.561E-03
DAV: 20 -0.903990994916E+02 -0.41980E-04 -0.30900E-06 504 0.109E-02 0.483E-03
DAV: 21 -0.903991534668E+02 -0.53975E-04 -0.11750E-05 398 0.181E-02 0.271E-03
DAV: 22 -0.903991584218E+02 -0.49550E-05 -0.30636E-06 504 0.985E-03
1 F= -.90399158E+02 E0= -.90406331E+02 d E =0.215164E-01