./iterations/neb0_image08_iter280_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 0.374390889467E+03 0.37439E+03 -0.14285E+04 624 0.799E+02
DAV: 2 0.334862346432E+01 -0.37104E+03 -0.35963E+03 877 0.196E+02
DAV: 3 -0.965373547088E+02 -0.99886E+02 -0.99560E+02 656 0.116E+02
DAV: 4 -0.101230877002E+03 -0.46935E+01 -0.46827E+01 712 0.294E+01
DAV: 5 -0.101323366663E+03 -0.92490E-01 -0.92450E-01 728 0.374E+00 0.227E+01
DAV: 6 -0.926595263660E+02 0.86638E+01 -0.30810E+01 717 0.299E+01 0.119E+01
DAV: 7 -0.917893241965E+02 0.87020E+00 -0.16965E+00 728 0.612E+00 0.480E+00
DAV: 8 -0.914141313177E+02 0.37519E+00 -0.55278E-01 728 0.401E+00 0.160E+00
DAV: 9 -0.913351960486E+02 0.78935E-01 -0.12848E-01 728 0.154E+00 0.420E-01
DAV: 10 -0.913268339237E+02 0.83621E-02 -0.45006E-02 728 0.108E+00 0.305E-01
DAV: 11 -0.913316912871E+02 -0.48574E-02 -0.14131E-02 608 0.608E-01 0.154E-01
DAV: 12 -0.913347396674E+02 -0.30484E-02 -0.29377E-03 634 0.233E-01 0.113E-01
DAV: 13 -0.913384973829E+02 -0.37577E-02 -0.26270E-03 647 0.272E-01 0.563E-02
DAV: 14 -0.913416753220E+02 -0.31779E-02 -0.86881E-04 664 0.171E-01 0.264E-02
DAV: 15 -0.913430373337E+02 -0.13620E-02 -0.16413E-04 664 0.679E-02 0.195E-02
DAV: 16 -0.913440651972E+02 -0.10279E-02 -0.17793E-04 674 0.817E-02 0.137E-02
DAV: 17 -0.913444647918E+02 -0.39959E-03 -0.37591E-05 672 0.338E-02 0.120E-02
DAV: 18 -0.913445894223E+02 -0.12463E-03 -0.17201E-05 488 0.260E-02 0.641E-03
DAV: 19 -0.913447476419E+02 -0.15822E-03 -0.24358E-05 508 0.208E-02 0.368E-03
DAV: 20 -0.913447679949E+02 -0.20353E-04 -0.18150E-06 520 0.777E-03 0.245E-03
DAV: 21 -0.913447909382E+02 -0.22943E-04 -0.52194E-06 406 0.140E-02 0.237E-03
DAV: 22 -0.913447929608E+02 -0.20226E-05 -0.97124E-07 501 0.612E-03
1 F= -.91344793E+02 E0= -.91349506E+02 d E =0.141377E-01