./iterations/neb0_image01_iter180_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 0.365339995771E+03 0.36534E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.314971247116E+01 -0.36219E+03 -0.34925E+03 842 0.196E+02
DAV: 3 -0.955734860666E+02 -0.98723E+02 -0.98374E+02 669 0.116E+02
DAV: 4 -0.100202171479E+03 -0.46287E+01 -0.46177E+01 688 0.287E+01
DAV: 5 -0.100295340877E+03 -0.93169E-01 -0.93120E-01 720 0.362E+00 0.222E+01
DAV: 6 -0.916768052450E+02 0.86185E+01 -0.31051E+01 688 0.299E+01 0.116E+01
DAV: 7 -0.908813717297E+02 0.79543E+00 -0.18306E+00 712 0.639E+00 0.484E+00
DAV: 8 -0.905074411663E+02 0.37393E+00 -0.54967E-01 704 0.428E+00 0.167E+00
DAV: 9 -0.904249772555E+02 0.82464E-01 -0.13285E-01 712 0.167E+00 0.423E-01
DAV: 10 -0.904203469593E+02 0.46303E-02 -0.46929E-02 720 0.124E+00 0.321E-01
DAV: 11 -0.904244669001E+02 -0.41199E-02 -0.80187E-03 608 0.574E-01 0.120E-01
DAV: 12 -0.904277593180E+02 -0.32924E-02 -0.63229E-03 637 0.441E-01 0.130E-01
DAV: 13 -0.904302031521E+02 -0.24438E-02 -0.15813E-03 861 0.305E-01 0.748E-02
DAV: 14 -0.904334289988E+02 -0.32258E-02 -0.14823E-03 631 0.196E-01 0.687E-02
DAV: 15 -0.904349662972E+02 -0.15373E-02 -0.29442E-04 704 0.114E-01 0.545E-02
DAV: 16 -0.904363448522E+02 -0.13786E-02 -0.11453E-03 661 0.209E-01 0.407E-02
DAV: 17 -0.904371512001E+02 -0.80635E-03 -0.15297E-04 664 0.848E-02 0.349E-02
DAV: 18 -0.904374366373E+02 -0.28544E-03 -0.67917E-05 688 0.411E-02 0.215E-02
DAV: 19 -0.904376544338E+02 -0.21780E-03 -0.11020E-04 625 0.610E-02 0.868E-03
DAV: 20 -0.904376838300E+02 -0.29396E-04 -0.14491E-05 512 0.252E-02 0.102E-02
DAV: 21 -0.904377186180E+02 -0.34788E-04 -0.86893E-06 410 0.180E-02 0.858E-03
DAV: 22 -0.904377377109E+02 -0.19093E-04 -0.51545E-06 471 0.201E-02 0.469E-03
DAV: 23 -0.904377417973E+02 -0.40864E-05 -0.13800E-05 504 0.205E-02
1 F= -.90437742E+02 E0= -.90443089E+02 d E =0.160413E-01