iterations/neb0_image01_iter64_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 0.366415170996E+03 0.36642E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.341848381853E+01 -0.36300E+03 -0.34956E+03 839 0.195E+02
DAV: 3 -0.957539081214E+02 -0.99172E+02 -0.98832E+02 688 0.116E+02
DAV: 4 -0.100172959890E+03 -0.44191E+01 -0.44099E+01 685 0.278E+01
DAV: 5 -0.100260783792E+03 -0.87824E-01 -0.87772E-01 744 0.350E+00 0.222E+01
DAV: 6 -0.916715549058E+02 0.85892E+01 -0.31128E+01 693 0.299E+01 0.117E+01
DAV: 7 -0.908597800031E+02 0.81177E+00 -0.18126E+00 720 0.636E+00 0.484E+00
DAV: 8 -0.904785764025E+02 0.38120E+00 -0.56013E-01 712 0.427E+00 0.167E+00
DAV: 9 -0.903939649971E+02 0.84611E-01 -0.13691E-01 712 0.164E+00 0.430E-01
DAV: 10 -0.903883111496E+02 0.56538E-02 -0.44989E-02 720 0.126E+00 0.315E-01
DAV: 11 -0.903920176505E+02 -0.37065E-02 -0.66080E-03 616 0.465E-01 0.153E-01
DAV: 12 -0.903954637616E+02 -0.34461E-02 -0.69279E-03 616 0.491E-01 0.124E-01
DAV: 13 -0.903983751608E+02 -0.29114E-02 -0.11650E-03 784 0.289E-01 0.792E-02
DAV: 14 -0.904012470189E+02 -0.28719E-02 -0.16553E-03 631 0.197E-01 0.597E-02
DAV: 15 -0.904035169790E+02 -0.22700E-02 -0.47603E-04 760 0.147E-01 0.415E-02
DAV: 16 -0.904045986225E+02 -0.10816E-02 -0.51127E-04 661 0.126E-01 0.334E-02
DAV: 17 -0.904055319701E+02 -0.93335E-03 -0.17588E-04 737 0.873E-02 0.198E-02
DAV: 18 -0.904057358584E+02 -0.20389E-03 -0.51014E-05 696 0.355E-02 0.136E-02
DAV: 19 -0.904059779174E+02 -0.24206E-03 -0.46538E-05 566 0.349E-02 0.431E-03
DAV: 20 -0.904060352773E+02 -0.57360E-04 -0.47927E-06 480 0.126E-02 0.387E-03
DAV: 21 -0.904060796237E+02 -0.44346E-04 -0.64871E-06 411 0.124E-02 0.150E-03
DAV: 22 -0.904060935624E+02 -0.13939E-04 -0.28904E-06 477 0.724E-03 0.145E-03
DAV: 23 -0.904060950784E+02 -0.15160E-05 -0.44764E-07 528 0.332E-03
1 F= -.90406095E+02 E0= -.90411406E+02 d E =0.159318E-01