./iterations/neb0_image02_iter225_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 0.366481694854E+03 0.36648E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.131793729309E+01 -0.36516E+03 -0.35417E+03 869 0.195E+02
DAV: 3 -0.956298602562E+02 -0.96948E+02 -0.96612E+02 640 0.116E+02
DAV: 4 -0.100238867494E+03 -0.46090E+01 -0.45979E+01 704 0.293E+01
DAV: 5 -0.100330365791E+03 -0.91498E-01 -0.91459E-01 736 0.370E+00 0.222E+01
DAV: 6 -0.916746705554E+02 0.86557E+01 -0.30973E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908562298589E+02 0.81844E+00 -0.18311E+00 712 0.637E+00 0.484E+00
DAV: 8 -0.904754125946E+02 0.38082E+00 -0.55423E-01 696 0.431E+00 0.169E+00
DAV: 9 -0.903895167191E+02 0.85896E-01 -0.13637E-01 720 0.167E+00 0.428E-01
DAV: 10 -0.903845329634E+02 0.49838E-02 -0.48707E-02 704 0.126E+00 0.328E-01
DAV: 11 -0.903883301546E+02 -0.37972E-02 -0.80921E-03 624 0.598E-01 0.118E-01
DAV: 12 -0.903912474314E+02 -0.29173E-02 -0.63040E-03 640 0.401E-01 0.132E-01
DAV: 13 -0.903938514078E+02 -0.26040E-02 -0.18324E-03 864 0.331E-01 0.811E-02
DAV: 14 -0.903970661068E+02 -0.32147E-02 -0.13317E-03 621 0.170E-01 0.690E-02
DAV: 15 -0.903988287042E+02 -0.17626E-02 -0.31212E-04 712 0.107E-01 0.506E-02
DAV: 16 -0.904003261127E+02 -0.14974E-02 -0.10328E-03 669 0.187E-01 0.416E-02
DAV: 17 -0.904009309539E+02 -0.60484E-03 -0.15159E-04 776 0.872E-02 0.261E-02
DAV: 18 -0.904012176065E+02 -0.28665E-03 -0.70825E-05 672 0.406E-02 0.114E-02
DAV: 19 -0.904014122415E+02 -0.19463E-03 -0.49316E-05 652 0.364E-02 0.668E-03
DAV: 20 -0.904014436052E+02 -0.31364E-04 -0.47731E-06 504 0.148E-02 0.580E-03
DAV: 21 -0.904014992903E+02 -0.55685E-04 -0.11792E-05 417 0.181E-02 0.363E-03
DAV: 22 -0.904015063372E+02 -0.70469E-05 -0.41065E-06 504 0.124E-02
1 F= -.90401506E+02 E0= -.90408123E+02 d E =0.198491E-01