iterations/neb0_image05_iter236_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 0.368232084891E+03 0.36823E+03 -0.14305E+04 624 0.799E+02
DAV: 2 0.397181788191E+01 -0.36426E+03 -0.34944E+03 845 0.195E+02
DAV: 3 -0.956084586043E+02 -0.99580E+02 -0.99239E+02 677 0.117E+02
DAV: 4 -0.100126852249E+03 -0.45184E+01 -0.45073E+01 696 0.282E+01
DAV: 5 -0.100215570651E+03 -0.88718E-01 -0.88675E-01 728 0.352E+00 0.222E+01
DAV: 6 -0.916036470160E+02 0.86119E+01 -0.31122E+01 688 0.300E+01 0.117E+01
DAV: 7 -0.907750145406E+02 0.82863E+00 -0.17510E+00 728 0.625E+00 0.482E+00
DAV: 8 -0.903970002260E+02 0.37801E+00 -0.55317E-01 720 0.426E+00 0.164E+00
DAV: 9 -0.903134359580E+02 0.83564E-01 -0.12875E-01 712 0.165E+00 0.429E-01
DAV: 10 -0.903066158086E+02 0.68201E-02 -0.45567E-02 728 0.121E+00 0.318E-01
DAV: 11 -0.903102297863E+02 -0.36140E-02 -0.80541E-03 616 0.611E-01 0.119E-01
DAV: 12 -0.903126416679E+02 -0.24119E-02 -0.65931E-03 616 0.435E-01 0.135E-01
DAV: 13 -0.903150346172E+02 -0.23929E-02 -0.21375E-03 810 0.344E-01 0.817E-02
DAV: 14 -0.903181984168E+02 -0.31638E-02 -0.15094E-03 639 0.247E-01 0.879E-02
DAV: 15 -0.903186002453E+02 -0.40183E-03 -0.38706E-04 736 0.115E-01 0.824E-02
DAV: 16 -0.903184666927E+02 0.13355E-03 -0.25527E-05 608 0.305E-02 0.824E-02
DAV: 17 -0.903186186962E+02 -0.15200E-03 -0.22541E-04 776 0.176E-01 0.978E-02
DAV: 18 -0.903192177811E+02 -0.59908E-03 -0.79023E-04 866 0.298E-01 0.978E-02
DAV: 19 -0.903198124011E+02 -0.59462E-03 -0.81219E-04 728 0.185E-01 0.748E-02
DAV: 20 -0.903204912587E+02 -0.67886E-03 -0.13603E-04 688 0.165E-01 0.759E-02
DAV: 21 -0.903223345133E+02 -0.18433E-02 -0.18683E-03 760 0.587E-01 0.124E-01
DAV: 22 -0.903230731987E+02 -0.73869E-03 -0.33495E-03 737 0.850E-01 0.533E-02
DAV: 23 -0.903232766622E+02 -0.20346E-03 -0.31898E-03 720 0.300E-01 0.801E-02
DAV: 24 -0.903231332304E+02 0.14343E-03 -0.37530E-04 776 0.128E-01 0.679E-02
DAV: 25 -0.903228715400E+02 0.26169E-03 -0.17345E-04 688 0.155E-01 0.727E-02
DAV: 26 -0.903219449593E+02 0.92658E-03 -0.66766E-04 744 0.329E-01 0.102E-01
DAV: 27 -0.903220335339E+02 -0.88575E-04 -0.58364E-04 684 0.113E-01 0.907E-02
DAV: 28 -0.903222428770E+02 -0.20934E-03 -0.95804E-06 536 0.571E-02 0.876E-02
DAV: 29 -0.903224177396E+02 -0.17486E-03 -0.17958E-04 609 0.848E-02 0.994E-02
DAV: 30 -0.903228522055E+02 -0.43447E-03 -0.28768E-04 730 0.143E-01 0.132E-01
DAV: 31 -0.903232755716E+02 -0.42337E-03 -0.19434E-04 760 0.145E-01 0.144E-01
DAV: 32 -0.903235535531E+02 -0.27798E-03 -0.20884E-04 712 0.116E-01 0.165E-01
DAV: 33 -0.903240278206E+02 -0.47427E-03 -0.23338E-04 888 0.208E-01 0.188E-01
DAV: 34 -0.903242065471E+02 -0.17873E-03 -0.37103E-04 736 0.115E-01 0.205E-01
DAV: 35 -0.903243941113E+02 -0.18756E-03 -0.84931E-05 808 0.141E-01 0.205E-01
DAV: 36 -0.903244201189E+02 -0.26008E-04 -0.11053E-04 704 0.480E-02 0.214E-01
DAV: 37 -0.903243705200E+02 0.49599E-04 -0.30748E-05 589 0.780E-02 0.234E-01
DAV: 38 -0.903244656549E+02 -0.95135E-04 -0.53358E-05 632 0.126E-01 0.209E-01
DAV: 39 -0.903244902426E+02 -0.24588E-04 -0.18720E-04 728 0.996E-02 0.175E-01
DAV: 40 -0.903254647078E+02 -0.97447E-03 -0.15155E-03 712 0.519E-01 0.106E-01
DAV: 41 -0.903263057289E+02 -0.84102E-03 -0.20355E-03 728 0.253E-01 0.146E-01
DAV: 42 -0.903264482242E+02 -0.14250E-03 -0.28371E-04 680 0.928E-02 0.169E-01
DAV: 43 -0.903264540473E+02 -0.58230E-05 -0.75014E-06 528 0.142E-02
1 F= -.90326454E+02 E0= -.90330480E+02 d E =0.120774E-01