iterations/neb0_image06_iter69_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 0.375947938100E+03 0.37595E+03 -0.14313E+04 632 0.799E+02
DAV: 2 0.421696767066E+01 -0.37173E+03 -0.35941E+03 866 0.195E+02
DAV: 3 -0.955334172041E+02 -0.99750E+02 -0.99429E+02 656 0.117E+02
DAV: 4 -0.100103595271E+03 -0.45702E+01 -0.45589E+01 704 0.291E+01
DAV: 5 -0.100197972592E+03 -0.94377E-01 -0.94338E-01 728 0.371E+00 0.226E+01
DAV: 6 -0.915802685448E+02 0.86177E+01 -0.30776E+01 685 0.305E+01 0.118E+01
DAV: 7 -0.907348784616E+02 0.84539E+00 -0.16911E+00 720 0.623E+00 0.481E+00
DAV: 8 -0.903498978490E+02 0.38498E+00 -0.53989E-01 704 0.411E+00 0.165E+00
DAV: 9 -0.902600477595E+02 0.89850E-01 -0.13039E-01 720 0.159E+00 0.424E-01
DAV: 10 -0.902501224469E+02 0.99253E-02 -0.47859E-02 720 0.112E+00 0.315E-01
DAV: 11 -0.902548094925E+02 -0.46870E-02 -0.13115E-02 613 0.643E-01 0.162E-01
DAV: 12 -0.902568436998E+02 -0.20342E-02 -0.26619E-03 654 0.248E-01 0.131E-01
DAV: 13 -0.902616333285E+02 -0.47896E-02 -0.38239E-03 633 0.387E-01 0.748E-02
DAV: 14 -0.902632774379E+02 -0.16441E-02 -0.50207E-04 712 0.143E-01 0.579E-02
DAV: 15 -0.902664800764E+02 -0.32026E-02 -0.88666E-04 636 0.172E-01 0.354E-02
DAV: 16 -0.902674502031E+02 -0.97013E-03 -0.17937E-04 701 0.727E-02 0.292E-02
DAV: 17 -0.902680322078E+02 -0.58200E-03 -0.84052E-05 674 0.560E-02 0.146E-02
DAV: 18 -0.902686822743E+02 -0.65007E-03 -0.95496E-05 636 0.449E-02 0.954E-03
DAV: 19 -0.902687552745E+02 -0.73000E-04 -0.54881E-06 528 0.131E-02 0.869E-03
DAV: 20 -0.902688532606E+02 -0.97986E-04 -0.17237E-05 437 0.242E-02 0.384E-03
DAV: 21 -0.902688616027E+02 -0.83421E-05 -0.48360E-06 528 0.121E-02
1 F= -.90268862E+02 E0= -.90273353E+02 d E =0.134743E-01