./iterations/neb0_image03_iter281_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 0.363236982738E+03 0.36324E+03 -0.14324E+04 632 0.799E+02
DAV: 2 0.834184212085E+00 -0.36240E+03 -0.35016E+03 853 0.195E+02
DAV: 3 -0.959764866374E+02 -0.96811E+02 -0.96506E+02 661 0.115E+02
DAV: 4 -0.100315640533E+03 -0.43392E+01 -0.43291E+01 712 0.281E+01
DAV: 5 -0.100400567265E+03 -0.84927E-01 -0.84905E-01 744 0.353E+00 0.223E+01
DAV: 6 -0.917166659731E+02 0.86839E+01 -0.31299E+01 680 0.300E+01 0.117E+01
DAV: 7 -0.908751809678E+02 0.84149E+00 -0.18010E+00 712 0.635E+00 0.485E+00
DAV: 8 -0.904831480150E+02 0.39203E+00 -0.56084E-01 696 0.431E+00 0.170E+00
DAV: 9 -0.903932952912E+02 0.89853E-01 -0.13684E-01 712 0.170E+00 0.441E-01
DAV: 10 -0.903871404678E+02 0.61548E-02 -0.45703E-02 720 0.121E+00 0.332E-01
DAV: 11 -0.903907060158E+02 -0.35655E-02 -0.61332E-03 632 0.585E-01 0.127E-01
DAV: 12 -0.903944331235E+02 -0.37271E-02 -0.65315E-03 616 0.382E-01 0.125E-01
DAV: 13 -0.903985604333E+02 -0.41273E-02 -0.17162E-03 831 0.316E-01 0.824E-02
DAV: 14 -0.904017347823E+02 -0.31743E-02 -0.10749E-03 645 0.148E-01 0.567E-02
DAV: 15 -0.904039937514E+02 -0.22590E-02 -0.40458E-04 680 0.106E-01 0.298E-02
DAV: 16 -0.904053520505E+02 -0.13583E-02 -0.35538E-04 658 0.978E-02 0.255E-02
DAV: 17 -0.904060135812E+02 -0.66153E-03 -0.92134E-05 653 0.579E-02 0.125E-02
DAV: 18 -0.904063651488E+02 -0.35157E-03 -0.87750E-05 658 0.453E-02 0.113E-02
DAV: 19 -0.904064194890E+02 -0.54340E-04 -0.47677E-06 512 0.182E-02 0.662E-03
DAV: 20 -0.904064926722E+02 -0.73183E-04 -0.31997E-05 537 0.324E-02 0.725E-03
DAV: 21 -0.904065110844E+02 -0.18412E-04 -0.38419E-06 480 0.166E-02 0.367E-03
DAV: 22 -0.904065221261E+02 -0.11042E-04 -0.65797E-06 437 0.141E-02 0.183E-03
DAV: 23 -0.904065258987E+02 -0.37726E-05 -0.81928E-07 480 0.581E-03
1 F= -.90406526E+02 E0= -.90414566E+02 d E =0.241209E-01