iterations/neb0_image06_iter12_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 0.361118588353E+03 0.36112E+03 -0.14177E+04 624 0.799E+02
DAV: 2 0.421580288487E+01 -0.35690E+03 -0.34390E+03 877 0.192E+02
DAV: 3 -0.929199032171E+02 -0.97136E+02 -0.96595E+02 680 0.114E+02
DAV: 4 -0.975660020602E+02 -0.46461E+01 -0.46273E+01 704 0.280E+01
DAV: 5 -0.976661823824E+02 -0.10018E+00 -0.10013E+00 720 0.364E+00 0.214E+01
DAV: 6 -0.891547286131E+02 0.85115E+01 -0.32495E+01 696 0.316E+01 0.112E+01
DAV: 7 -0.884444807586E+02 0.71025E+00 -0.16754E+00 720 0.723E+00 0.488E+00
DAV: 8 -0.880731222531E+02 0.37136E+00 -0.70013E-01 720 0.468E+00 0.175E+00
DAV: 9 -0.879820819256E+02 0.91040E-01 -0.15857E-01 720 0.209E+00 0.566E-01
DAV: 10 -0.879717443136E+02 0.10338E-01 -0.20077E-02 728 0.780E-01 0.312E-01
DAV: 11 -0.879709045084E+02 0.83981E-03 -0.15903E-02 624 0.747E-01 0.189E-01
DAV: 12 -0.879732088383E+02 -0.23043E-02 -0.46837E-03 672 0.450E-01 0.110E-01
DAV: 13 -0.879770134995E+02 -0.38047E-02 -0.22961E-03 620 0.261E-01 0.907E-02
DAV: 14 -0.879805663945E+02 -0.35529E-02 -0.94085E-04 647 0.169E-01 0.447E-02
DAV: 15 -0.879831896110E+02 -0.26232E-02 -0.67482E-04 704 0.160E-01 0.389E-02
DAV: 16 -0.879844165107E+02 -0.12269E-02 -0.22306E-04 672 0.919E-02 0.315E-02
DAV: 17 -0.879854352055E+02 -0.10187E-02 -0.32796E-04 738 0.119E-01 0.250E-02
DAV: 18 -0.879859059222E+02 -0.47072E-03 -0.10845E-04 765 0.648E-02 0.159E-02
DAV: 19 -0.879861106471E+02 -0.20472E-03 -0.37360E-05 637 0.342E-02 0.728E-03
DAV: 20 -0.879862599372E+02 -0.14929E-03 -0.29868E-05 530 0.292E-02 0.562E-03
DAV: 21 -0.879863124634E+02 -0.52526E-04 -0.43729E-06 461 0.136E-02 0.363E-03
DAV: 22 -0.879863334500E+02 -0.20987E-04 -0.64827E-06 420 0.133E-02 0.163E-03
DAV: 23 -0.879863382231E+02 -0.47731E-05 -0.10423E-06 477 0.565E-03
1 F= -.87986338E+02 E0= -.87990258E+02 d E =0.117591E-01