./iterations/neb0_image01_iter215_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 0.365706888027E+03 0.36571E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.324806779196E+01 -0.36246E+03 -0.34943E+03 839 0.196E+02
DAV: 3 -0.954307741635E+02 -0.98679E+02 -0.98334E+02 645 0.116E+02
DAV: 4 -0.100230894101E+03 -0.48001E+01 -0.47884E+01 704 0.297E+01
DAV: 5 -0.100326640612E+03 -0.95747E-01 -0.95696E-01 728 0.376E+00 0.222E+01
DAV: 6 -0.916944588715E+02 0.86322E+01 -0.30913E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908876530100E+02 0.80681E+00 -0.18317E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905116815164E+02 0.37597E+00 -0.55297E-01 704 0.429E+00 0.167E+00
DAV: 9 -0.904291592875E+02 0.82522E-01 -0.13289E-01 728 0.166E+00 0.423E-01
DAV: 10 -0.904246316658E+02 0.45276E-02 -0.47185E-02 704 0.124E+00 0.323E-01
DAV: 11 -0.904287261072E+02 -0.40944E-02 -0.77803E-03 608 0.570E-01 0.121E-01
DAV: 12 -0.904321419728E+02 -0.34159E-02 -0.66111E-03 629 0.449E-01 0.133E-01
DAV: 13 -0.904345694849E+02 -0.24275E-02 -0.16783E-03 853 0.314E-01 0.752E-02
DAV: 14 -0.904377507037E+02 -0.31812E-02 -0.14674E-03 642 0.193E-01 0.696E-02
DAV: 15 -0.904393775506E+02 -0.16268E-02 -0.29841E-04 680 0.112E-01 0.554E-02
DAV: 16 -0.904407687941E+02 -0.13912E-02 -0.11080E-03 661 0.205E-01 0.387E-02
DAV: 17 -0.904415758671E+02 -0.80707E-03 -0.14279E-04 661 0.826E-02 0.332E-02
DAV: 18 -0.904419056921E+02 -0.32982E-03 -0.92775E-05 680 0.484E-02 0.171E-02
DAV: 19 -0.904420746781E+02 -0.16899E-03 -0.87122E-05 645 0.514E-02 0.982E-03
DAV: 20 -0.904421030106E+02 -0.28332E-04 -0.73403E-06 512 0.185E-02 0.961E-03
DAV: 21 -0.904421426141E+02 -0.39604E-04 -0.77543E-06 401 0.153E-02 0.651E-03
DAV: 22 -0.904421517647E+02 -0.91505E-05 -0.53488E-06 480 0.164E-02
1 F= -.90442152E+02 E0= -.90447993E+02 d E =0.175233E-01