./iterations/neb0_image05_iter244_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 0.366843699723E+03 0.36684E+03 -0.14294E+04 624 0.799E+02
DAV: 2 0.388022769132E+01 -0.36296E+03 -0.34832E+03 845 0.195E+02
DAV: 3 -0.954254149390E+02 -0.99306E+02 -0.98956E+02 672 0.116E+02
DAV: 4 -0.100054329180E+03 -0.46289E+01 -0.46164E+01 696 0.287E+01
DAV: 5 -0.100144545742E+03 -0.90217E-01 -0.90169E-01 736 0.359E+00 0.221E+01
DAV: 6 -0.915752473417E+02 0.85693E+01 -0.31227E+01 704 0.300E+01 0.116E+01
DAV: 7 -0.907734379222E+02 0.80181E+00 -0.17644E+00 728 0.627E+00 0.481E+00
DAV: 8 -0.903986944473E+02 0.37474E+00 -0.54678E-01 728 0.427E+00 0.166E+00
DAV: 9 -0.903128892775E+02 0.85805E-01 -0.12868E-01 720 0.167E+00 0.429E-01
DAV: 10 -0.903061105817E+02 0.67787E-02 -0.44595E-02 728 0.117E+00 0.317E-01
DAV: 11 -0.903100678566E+02 -0.39573E-02 -0.85966E-03 608 0.628E-01 0.117E-01
DAV: 12 -0.903123350124E+02 -0.22672E-02 -0.59836E-03 618 0.392E-01 0.135E-01
DAV: 13 -0.903150511681E+02 -0.27162E-02 -0.25673E-03 858 0.356E-01 0.836E-02
DAV: 14 -0.903185893721E+02 -0.35382E-02 -0.14140E-03 636 0.189E-01 0.785E-02
DAV: 15 -0.903197509309E+02 -0.11616E-02 -0.36407E-04 776 0.142E-01 0.576E-02
DAV: 16 -0.903203668468E+02 -0.61592E-03 -0.19136E-04 664 0.996E-02 0.465E-02
DAV: 17 -0.903201950824E+02 0.17176E-03 -0.49533E-05 661 0.501E-02 0.433E-02
DAV: 18 -0.903205422764E+02 -0.34719E-03 -0.21424E-04 885 0.158E-01 0.353E-02
DAV: 19 -0.903221894408E+02 -0.16472E-02 -0.89349E-04 657 0.235E-01 0.551E-02
DAV: 20 -0.903228635208E+02 -0.67408E-03 -0.49350E-04 784 0.188E-01 0.518E-02
DAV: 21 -0.903232437163E+02 -0.38020E-03 -0.25861E-04 752 0.179E-01 0.551E-02
DAV: 22 -0.903231229584E+02 0.12076E-03 -0.28738E-04 663 0.204E-01 0.616E-02
DAV: 23 -0.903228913481E+02 0.23161E-03 -0.81412E-04 824 0.284E-01 0.559E-02
DAV: 24 -0.903228721239E+02 0.19224E-04 -0.57291E-04 720 0.127E-01 0.444E-02
DAV: 25 -0.903226196482E+02 0.25248E-03 -0.19433E-04 664 0.179E-01 0.671E-02
DAV: 26 -0.903229820880E+02 -0.36244E-03 -0.94741E-05 657 0.193E-01 0.371E-02
DAV: 27 -0.903235507464E+02 -0.56866E-03 -0.13009E-03 893 0.394E-01 0.613E-02
DAV: 28 -0.903240835939E+02 -0.53285E-03 -0.15972E-03 768 0.334E-01 0.907E-02
DAV: 29 -0.903242550161E+02 -0.17142E-03 -0.49395E-04 680 0.125E-01 0.109E-01
DAV: 30 -0.903247968093E+02 -0.54179E-03 -0.27777E-04 757 0.210E-01 0.120E-01
DAV: 31 -0.903250463312E+02 -0.24952E-03 -0.37219E-04 728 0.105E-01 0.143E-01
DAV: 32 -0.903251449839E+02 -0.98653E-04 -0.32307E-05 693 0.414E-02 0.147E-01
DAV: 33 -0.903250072706E+02 0.13771E-03 -0.12861E-05 552 0.420E-02 0.149E-01
DAV: 34 -0.903246960653E+02 0.31121E-03 -0.94456E-05 720 0.111E-01 0.145E-01
DAV: 35 -0.903244112202E+02 0.28485E-03 -0.23176E-04 824 0.142E-01 0.133E-01
DAV: 36 -0.903241987121E+02 0.21251E-03 -0.30441E-04 826 0.169E-01 0.111E-01
DAV: 37 -0.903240625639E+02 0.13615E-03 -0.33873E-04 768 0.167E-01 0.757E-02
DAV: 38 -0.903240357584E+02 0.26806E-04 -0.12647E-04 704 0.724E-02 0.581E-02
DAV: 39 -0.903239462213E+02 0.89537E-04 -0.70138E-05 784 0.968E-02 0.505E-02
DAV: 40 -0.903239328927E+02 0.13329E-04 -0.72206E-05 720 0.455E-02 0.414E-02
DAV: 41 -0.903238685307E+02 0.64362E-04 -0.23553E-05 560 0.729E-02 0.417E-02
DAV: 42 -0.903238930759E+02 -0.24545E-04 -0.14526E-05 487 0.297E-02 0.370E-02
DAV: 43 -0.903238936247E+02 -0.54875E-06 -0.23397E-06 352 0.707E-03
1 F= -.90323894E+02 E0= -.90329503E+02 d E =0.168293E-01