iterations/neb0_image06_iter261_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 0.374050684791E+03 0.37405E+03 -0.14319E+04 632 0.799E+02
DAV: 2 0.519363482598E+01 -0.36886E+03 -0.35634E+03 858 0.194E+02
DAV: 3 -0.950573215463E+02 -0.10025E+03 -0.99866E+02 664 0.117E+02
DAV: 4 -0.998809979647E+02 -0.48237E+01 -0.48090E+01 736 0.290E+01
DAV: 5 -0.999818600420E+02 -0.10086E+00 -0.10081E+00 720 0.370E+00 0.225E+01
DAV: 6 -0.914240935376E+02 0.85578E+01 -0.30107E+01 696 0.304E+01 0.118E+01
DAV: 7 -0.906033406573E+02 0.82075E+00 -0.17580E+00 720 0.636E+00 0.480E+00
DAV: 8 -0.902292500411E+02 0.37409E+00 -0.54808E-01 712 0.413E+00 0.169E+00
DAV: 9 -0.901376311319E+02 0.91619E-01 -0.13107E-01 720 0.164E+00 0.433E-01
DAV: 10 -0.901278547069E+02 0.97764E-02 -0.33856E-02 760 0.914E-01 0.286E-01
DAV: 11 -0.901319395185E+02 -0.40848E-02 -0.11651E-02 602 0.603E-01 0.177E-01
DAV: 12 -0.901333582742E+02 -0.14188E-02 -0.37354E-03 664 0.383E-01 0.919E-02
DAV: 13 -0.901378268517E+02 -0.44686E-02 -0.29725E-03 614 0.288E-01 0.881E-02
DAV: 14 -0.901397530225E+02 -0.19262E-02 -0.51152E-04 896 0.181E-01 0.386E-02
DAV: 15 -0.901428984178E+02 -0.31454E-02 -0.72207E-04 611 0.144E-01 0.370E-02
DAV: 16 -0.901446668874E+02 -0.17685E-02 -0.21831E-04 842 0.100E-01 0.207E-02
DAV: 17 -0.901455934793E+02 -0.92659E-03 -0.20693E-04 677 0.700E-02 0.174E-02
DAV: 18 -0.901458776896E+02 -0.28421E-03 -0.28532E-05 541 0.339E-02 0.936E-03
DAV: 19 -0.901459769992E+02 -0.99310E-04 -0.35459E-05 661 0.334E-02 0.570E-03
DAV: 20 -0.901460279557E+02 -0.50957E-04 -0.74969E-06 439 0.227E-02 0.177E-03
DAV: 21 -0.901460413532E+02 -0.13397E-04 -0.26341E-06 488 0.939E-03 0.151E-03
DAV: 22 -0.901460493547E+02 -0.80015E-05 -0.17733E-06 404 0.794E-03
1 F= -.90146049E+02 E0= -.90150538E+02 d E =0.134669E-01