iterations/neb0_image01_iter292_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 0.363514405106E+03 0.36351E+03 -0.14334E+04 632 0.799E+02
DAV: 2 0.313369383321E+01 -0.36038E+03 -0.34808E+03 828 0.195E+02
DAV: 3 -0.955927739634E+02 -0.98726E+02 -0.98386E+02 653 0.116E+02
DAV: 4 -0.100258074905E+03 -0.46653E+01 -0.46526E+01 704 0.291E+01
DAV: 5 -0.100346997518E+03 -0.88923E-01 -0.88880E-01 728 0.367E+00 0.223E+01
DAV: 6 -0.917109972685E+02 0.86360E+01 -0.30907E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908928094265E+02 0.81819E+00 -0.18514E+00 720 0.637E+00 0.484E+00
DAV: 8 -0.905125326409E+02 0.38028E+00 -0.55535E-01 704 0.430E+00 0.169E+00
DAV: 9 -0.904264689253E+02 0.86064E-01 -0.13648E-01 712 0.165E+00 0.428E-01
DAV: 10 -0.904211004707E+02 0.53685E-02 -0.46380E-02 701 0.126E+00 0.319E-01
DAV: 11 -0.904247996169E+02 -0.36991E-02 -0.67734E-03 608 0.495E-01 0.142E-01
DAV: 12 -0.904283235912E+02 -0.35240E-02 -0.75572E-03 628 0.498E-01 0.134E-01
DAV: 13 -0.904309090704E+02 -0.25855E-02 -0.17776E-03 888 0.332E-01 0.764E-02
DAV: 14 -0.904340384356E+02 -0.31294E-02 -0.13270E-03 639 0.170E-01 0.593E-02
DAV: 15 -0.904360764339E+02 -0.20380E-02 -0.34893E-04 680 0.107E-01 0.457E-02
DAV: 16 -0.904376961395E+02 -0.16197E-02 -0.88713E-04 650 0.175E-01 0.380E-02
DAV: 17 -0.904384006084E+02 -0.70447E-03 -0.15179E-04 760 0.898E-02 0.245E-02
DAV: 18 -0.904386133645E+02 -0.21276E-03 -0.83436E-05 672 0.447E-02 0.982E-03
DAV: 19 -0.904387970538E+02 -0.18369E-03 -0.35447E-05 535 0.294E-02 0.492E-03
DAV: 20 -0.904388261483E+02 -0.29095E-04 -0.49360E-06 488 0.153E-02 0.651E-03
DAV: 21 -0.904388624607E+02 -0.36312E-04 -0.65234E-06 431 0.150E-02 0.518E-03
DAV: 22 -0.904388772979E+02 -0.14837E-04 -0.39163E-06 480 0.135E-02 0.250E-03
DAV: 23 -0.904388793592E+02 -0.20613E-05 -0.36590E-06 536 0.112E-02
1 F= -.90438879E+02 E0= -.90444286E+02 d E =0.162199E-01