iterations/neb0_image02_iter40_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 0.368853406314E+03 0.36885E+03 -0.14302E+04 624 0.799E+02
DAV: 2 0.434385248846E+01 -0.36451E+03 -0.34971E+03 842 0.195E+02
DAV: 3 -0.954497729490E+02 -0.99794E+02 -0.99455E+02 656 0.116E+02
DAV: 4 -0.100186516057E+03 -0.47367E+01 -0.47252E+01 720 0.294E+01
DAV: 5 -0.100278267510E+03 -0.91751E-01 -0.91715E-01 728 0.369E+00 0.223E+01
DAV: 6 -0.916223084116E+02 0.86560E+01 -0.30801E+01 688 0.299E+01 0.118E+01
DAV: 7 -0.907890026373E+02 0.83331E+00 -0.18439E+00 712 0.634E+00 0.483E+00
DAV: 8 -0.904019969227E+02 0.38701E+00 -0.55174E-01 696 0.423E+00 0.170E+00
DAV: 9 -0.903102663958E+02 0.91731E-01 -0.14215E-01 696 0.167E+00 0.433E-01
DAV: 10 -0.903036866953E+02 0.65797E-02 -0.43289E-02 712 0.123E+00 0.312E-01
DAV: 11 -0.903074692661E+02 -0.37826E-02 -0.65937E-03 613 0.463E-01 0.145E-01
DAV: 12 -0.903107501248E+02 -0.32809E-02 -0.60957E-03 613 0.440E-01 0.121E-01
DAV: 13 -0.903137721474E+02 -0.30220E-02 -0.10765E-03 957 0.284E-01 0.745E-02
DAV: 14 -0.903168461233E+02 -0.30740E-02 -0.12156E-03 634 0.162E-01 0.506E-02
DAV: 15 -0.903193067542E+02 -0.24606E-02 -0.39722E-04 693 0.120E-01 0.358E-02
DAV: 16 -0.903206811636E+02 -0.13744E-02 -0.48277E-04 656 0.118E-01 0.311E-02
DAV: 17 -0.903214321926E+02 -0.75103E-03 -0.12760E-04 797 0.752E-02 0.162E-02
DAV: 18 -0.903216344239E+02 -0.20223E-03 -0.38144E-05 688 0.328E-02 0.698E-03
DAV: 19 -0.903218794507E+02 -0.24503E-03 -0.31301E-05 548 0.256E-02 0.491E-03
DAV: 20 -0.903219228609E+02 -0.43410E-04 -0.24319E-06 496 0.109E-02 0.356E-03
DAV: 21 -0.903219876057E+02 -0.64745E-04 -0.15511E-05 456 0.206E-02 0.336E-03
DAV: 22 -0.903219917599E+02 -0.41542E-05 -0.15453E-06 512 0.887E-03
1 F= -.90321992E+02 E0= -.90328493E+02 d E =0.195040E-01