./iterations/neb0_image06_iter23_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 0.366121848095E+03 0.36612E+03 -0.14263E+04 632 0.799E+02
DAV: 2 0.329695761538E+01 -0.36282E+03 -0.35005E+03 877 0.194E+02
DAV: 3 -0.944482702398E+02 -0.97745E+02 -0.97312E+02 664 0.115E+02
DAV: 4 -0.989623319494E+02 -0.45141E+01 -0.45006E+01 712 0.282E+01
DAV: 5 -0.990550574026E+02 -0.92725E-01 -0.92693E-01 728 0.360E+00 0.220E+01
DAV: 6 -0.903031682926E+02 0.87519E+01 -0.31499E+01 696 0.305E+01 0.114E+01
DAV: 7 -0.894595396626E+02 0.84363E+00 -0.16776E+00 712 0.681E+00 0.484E+00
DAV: 8 -0.890663447595E+02 0.39319E+00 -0.68077E-01 712 0.463E+00 0.167E+00
DAV: 9 -0.889803266634E+02 0.86018E-01 -0.13364E-01 720 0.177E+00 0.499E-01
DAV: 10 -0.889686888911E+02 0.11638E-01 -0.26793E-02 768 0.798E-01 0.278E-01
DAV: 11 -0.889707690135E+02 -0.20801E-02 -0.91890E-03 616 0.608E-01 0.144E-01
DAV: 12 -0.889732427061E+02 -0.24737E-02 -0.27339E-03 682 0.343E-01 0.994E-02
DAV: 13 -0.889774452109E+02 -0.42025E-02 -0.24752E-03 639 0.253E-01 0.983E-02
DAV: 14 -0.889801959116E+02 -0.27507E-02 -0.10245E-03 661 0.168E-01 0.371E-02
DAV: 15 -0.889832763229E+02 -0.30804E-02 -0.68097E-04 661 0.142E-01 0.397E-02
DAV: 16 -0.889846872035E+02 -0.14109E-02 -0.16612E-04 685 0.838E-02 0.215E-02
DAV: 17 -0.889855769548E+02 -0.88975E-03 -0.23158E-04 759 0.934E-02 0.216E-02
DAV: 18 -0.889858879136E+02 -0.31096E-03 -0.65105E-05 757 0.570E-02 0.147E-02
DAV: 19 -0.889860458363E+02 -0.15792E-03 -0.43667E-05 661 0.390E-02 0.726E-03
DAV: 20 -0.889861292902E+02 -0.83454E-04 -0.11821E-05 477 0.201E-02 0.404E-03
DAV: 21 -0.889861843870E+02 -0.55097E-04 -0.72533E-06 426 0.135E-02 0.250E-03
DAV: 22 -0.889862049247E+02 -0.20538E-04 -0.42580E-06 469 0.121E-02 0.185E-03
DAV: 23 -0.889862126144E+02 -0.76896E-05 -0.16110E-06 415 0.604E-03
1 F= -.88986213E+02 E0= -.88990706E+02 d E =0.134814E-01