iterations/neb0_image03_iter31_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 0.368084994296E+03 0.36808E+03 -0.14322E+04 632 0.799E+02
DAV: 2 0.320187435913E+01 -0.36488E+03 -0.35218E+03 853 0.195E+02
DAV: 3 -0.954741531836E+02 -0.98676E+02 -0.98351E+02 672 0.116E+02
DAV: 4 -0.999146337680E+02 -0.44405E+01 -0.44303E+01 712 0.283E+01
DAV: 5 -0.100000108833E+03 -0.85475E-01 -0.85428E-01 736 0.354E+00 0.223E+01
DAV: 6 -0.913558499395E+02 0.86443E+01 -0.30500E+01 693 0.297E+01 0.117E+01
DAV: 7 -0.904892470186E+02 0.86660E+00 -0.18106E+00 712 0.637E+00 0.483E+00
DAV: 8 -0.900819879104E+02 0.40726E+00 -0.59112E-01 704 0.439E+00 0.165E+00
DAV: 9 -0.899895398785E+02 0.92448E-01 -0.14095E-01 720 0.168E+00 0.441E-01
DAV: 10 -0.899814422031E+02 0.80977E-02 -0.47465E-02 728 0.121E+00 0.333E-01
DAV: 11 -0.899852809203E+02 -0.38387E-02 -0.78327E-03 608 0.530E-01 0.120E-01
DAV: 12 -0.899882955378E+02 -0.30146E-02 -0.54819E-03 626 0.346E-01 0.130E-01
DAV: 13 -0.899915491018E+02 -0.32536E-02 -0.18343E-03 840 0.342E-01 0.752E-02
DAV: 14 -0.899950133981E+02 -0.34643E-02 -0.11230E-03 631 0.149E-01 0.569E-02
DAV: 15 -0.899974651174E+02 -0.24517E-02 -0.37851E-04 701 0.112E-01 0.316E-02
DAV: 16 -0.899991788256E+02 -0.17137E-02 -0.54967E-04 653 0.126E-01 0.371E-02
DAV: 17 -0.899996373120E+02 -0.45849E-03 -0.82519E-05 720 0.614E-02 0.211E-02
DAV: 18 -0.900000875906E+02 -0.45028E-03 -0.14795E-04 650 0.661E-02 0.111E-02
DAV: 19 -0.900001527426E+02 -0.65152E-04 -0.73147E-06 488 0.197E-02 0.919E-03
DAV: 20 -0.900002337538E+02 -0.81011E-04 -0.22320E-05 565 0.312E-02 0.505E-03
DAV: 21 -0.900002685089E+02 -0.34755E-04 -0.55685E-06 472 0.161E-02 0.260E-03
DAV: 22 -0.900002963426E+02 -0.27834E-04 -0.55364E-06 428 0.111E-02 0.170E-03
DAV: 23 -0.900003013410E+02 -0.49984E-05 -0.10713E-06 501 0.525E-03
1 F= -.90000301E+02 E0= -.90008515E+02 d E =0.246400E-01