./iterations/neb0_image01_iter50_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 0.366730336240E+03 0.36673E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.345784909309E+01 -0.36327E+03 -0.34983E+03 839 0.195E+02
DAV: 3 -0.956281205286E+02 -0.99086E+02 -0.98743E+02 672 0.116E+02
DAV: 4 -0.100202592169E+03 -0.45745E+01 -0.45648E+01 685 0.287E+01
DAV: 5 -0.100294077243E+03 -0.91485E-01 -0.91432E-01 736 0.362E+00 0.222E+01
DAV: 6 -0.916770303967E+02 0.86170E+01 -0.31096E+01 704 0.299E+01 0.117E+01
DAV: 7 -0.908612713382E+02 0.81576E+00 -0.18309E+00 720 0.636E+00 0.484E+00
DAV: 8 -0.904793548238E+02 0.38192E+00 -0.55968E-01 704 0.428E+00 0.168E+00
DAV: 9 -0.903937202331E+02 0.85635E-01 -0.13749E-01 696 0.165E+00 0.430E-01
DAV: 10 -0.903879711146E+02 0.57491E-02 -0.45299E-02 736 0.126E+00 0.316E-01
DAV: 11 -0.903917639543E+02 -0.37928E-02 -0.67765E-03 608 0.476E-01 0.146E-01
DAV: 12 -0.903951980956E+02 -0.34341E-02 -0.66920E-03 632 0.474E-01 0.123E-01
DAV: 13 -0.903980453556E+02 -0.28473E-02 -0.11781E-03 792 0.293E-01 0.780E-02
DAV: 14 -0.904009967274E+02 -0.29514E-02 -0.16452E-03 631 0.195E-01 0.612E-02
DAV: 15 -0.904032249922E+02 -0.22283E-02 -0.47510E-04 744 0.148E-01 0.427E-02
DAV: 16 -0.904043172401E+02 -0.10922E-02 -0.56442E-04 669 0.132E-01 0.344E-02
DAV: 17 -0.904052540715E+02 -0.93683E-03 -0.17839E-04 735 0.883E-02 0.213E-02
DAV: 18 -0.904054329851E+02 -0.17891E-03 -0.47333E-05 704 0.347E-02 0.140E-02
DAV: 19 -0.904056967795E+02 -0.26379E-03 -0.52729E-05 630 0.375E-02 0.415E-03
DAV: 20 -0.904057537961E+02 -0.57017E-04 -0.45342E-06 480 0.119E-02 0.405E-03
DAV: 21 -0.904057987996E+02 -0.45003E-04 -0.51970E-06 425 0.111E-02 0.218E-03
DAV: 22 -0.904058174663E+02 -0.18667E-04 -0.36906E-06 477 0.791E-03 0.165E-03
DAV: 23 -0.904058196886E+02 -0.22223E-05 -0.61488E-07 520 0.432E-03
1 F= -.90405820E+02 E0= -.90411209E+02 d E =0.161687E-01