iterations/neb0_image06_iter293_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 0.375533719546E+03 0.37553E+03 -0.14331E+04 632 0.799E+02
DAV: 2 0.549946246863E+01 -0.37003E+03 -0.35755E+03 869 0.195E+02
DAV: 3 -0.941943988536E+02 -0.99694E+02 -0.99284E+02 648 0.116E+02
DAV: 4 -0.989925420142E+02 -0.47981E+01 -0.47785E+01 712 0.297E+01
DAV: 5 -0.990903200140E+02 -0.97778E-01 -0.97722E-01 720 0.383E+00 0.222E+01
DAV: 6 -0.906907482519E+02 0.83996E+01 -0.29766E+01 704 0.303E+01 0.116E+01
DAV: 7 -0.898583648264E+02 0.83238E+00 -0.16904E+00 712 0.639E+00 0.482E+00
DAV: 8 -0.894630684005E+02 0.39530E+00 -0.58891E-01 712 0.425E+00 0.159E+00
DAV: 9 -0.893726567545E+02 0.90412E-01 -0.12758E-01 712 0.162E+00 0.440E-01
DAV: 10 -0.893618926919E+02 0.10764E-01 -0.39081E-02 712 0.986E-01 0.302E-01
DAV: 11 -0.893653037616E+02 -0.34111E-02 -0.10394E-02 608 0.557E-01 0.158E-01
DAV: 12 -0.893670958655E+02 -0.17921E-02 -0.28724E-03 680 0.338E-01 0.923E-02
DAV: 13 -0.893716801808E+02 -0.45843E-02 -0.27138E-03 620 0.262E-01 0.871E-02
DAV: 14 -0.893742440918E+02 -0.25639E-02 -0.91177E-04 864 0.240E-01 0.351E-02
DAV: 15 -0.893771061393E+02 -0.28620E-02 -0.52682E-04 623 0.115E-01 0.366E-02
DAV: 16 -0.893790743016E+02 -0.19682E-02 -0.22834E-04 693 0.820E-02 0.187E-02
DAV: 17 -0.893802070958E+02 -0.11328E-02 -0.24423E-04 677 0.776E-02 0.202E-02
DAV: 18 -0.893805188650E+02 -0.31177E-03 -0.51602E-05 656 0.488E-02 0.669E-03
DAV: 19 -0.893805765491E+02 -0.57684E-04 -0.15295E-05 504 0.227E-02 0.274E-03
DAV: 20 -0.893806571906E+02 -0.80641E-04 -0.89778E-06 433 0.132E-02 0.238E-03
DAV: 21 -0.893806716132E+02 -0.14423E-04 -0.13958E-06 504 0.553E-03 0.214E-03
DAV: 22 -0.893806868121E+02 -0.15199E-04 -0.25875E-06 395 0.932E-03 0.167E-03
DAV: 23 -0.893806890910E+02 -0.22789E-05 -0.66422E-07 488 0.454E-03
1 F= -.89380689E+02 E0= -.89386645E+02 d E =0.178666E-01