iterations/neb0_image05_iter167_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 0.368120772108E+03 0.36812E+03 -0.14337E+04 632 0.799E+02
DAV: 2 0.331422263208E+01 -0.36481E+03 -0.35100E+03 853 0.194E+02
DAV: 3 -0.952641699719E+02 -0.98578E+02 -0.98241E+02 653 0.116E+02
DAV: 4 -0.999906371619E+02 -0.47265E+01 -0.47150E+01 720 0.291E+01
DAV: 5 -0.100085834539E+03 -0.95197E-01 -0.95147E-01 736 0.368E+00 0.223E+01
DAV: 6 -0.915659424482E+02 0.85199E+01 -0.30124E+01 669 0.296E+01 0.118E+01
DAV: 7 -0.907454213552E+02 0.82052E+00 -0.18436E+00 736 0.642E+00 0.481E+00
DAV: 8 -0.903660450385E+02 0.37938E+00 -0.53565E-01 720 0.427E+00 0.170E+00
DAV: 9 -0.902779719954E+02 0.88073E-01 -0.14445E-01 720 0.172E+00 0.452E-01
DAV: 10 -0.902703833320E+02 0.75887E-02 -0.39780E-02 760 0.130E+00 0.317E-01
DAV: 11 -0.902723803607E+02 -0.19970E-02 -0.60009E-03 656 0.487E-01 0.185E-01
DAV: 12 -0.902749452670E+02 -0.25649E-02 -0.72321E-03 632 0.476E-01 0.114E-01
DAV: 13 -0.902779803802E+02 -0.30351E-02 -0.97434E-04 653 0.231E-01 0.792E-02
DAV: 14 -0.902814641271E+02 -0.34837E-02 -0.17303E-03 639 0.197E-01 0.476E-02
DAV: 15 -0.902844591214E+02 -0.29950E-02 -0.36128E-04 693 0.109E-01 0.293E-02
DAV: 16 -0.902861560901E+02 -0.16970E-02 -0.35963E-04 680 0.941E-02 0.243E-02
DAV: 17 -0.902869553750E+02 -0.79928E-03 -0.90722E-05 714 0.625E-02 0.130E-02
DAV: 18 -0.902873057764E+02 -0.35040E-03 -0.52227E-05 645 0.334E-02 0.778E-03
DAV: 19 -0.902873932417E+02 -0.87465E-04 -0.10105E-05 496 0.164E-02 0.342E-03
DAV: 20 -0.902874702140E+02 -0.76972E-04 -0.89925E-06 439 0.114E-02 0.224E-03
DAV: 21 -0.902874907067E+02 -0.20493E-04 -0.34956E-06 488 0.863E-03 0.147E-03
DAV: 22 -0.902874952684E+02 -0.45617E-05 -0.90376E-07 464 0.534E-03
1 F= -.90287495E+02 E0= -.90295699E+02 d E =0.246109E-01