iterations/neb0_image09_iter175_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 0.373980527554E+03 0.37398E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.323536261753E+01 -0.37075E+03 -0.35800E+03 869 0.196E+02
DAV: 3 -0.966190007840E+02 -0.99854E+02 -0.99522E+02 653 0.117E+02
DAV: 4 -0.101241290485E+03 -0.46223E+01 -0.46115E+01 720 0.291E+01
DAV: 5 -0.101332676974E+03 -0.91386E-01 -0.91346E-01 728 0.371E+00 0.227E+01
DAV: 6 -0.926758579774E+02 0.86568E+01 -0.30923E+01 717 0.301E+01 0.119E+01
DAV: 7 -0.918089248823E+02 0.86693E+00 -0.17150E+00 728 0.613E+00 0.479E+00
DAV: 8 -0.914332409159E+02 0.37568E+00 -0.54521E-01 712 0.396E+00 0.163E+00
DAV: 9 -0.913517981818E+02 0.81443E-01 -0.13110E-01 712 0.156E+00 0.423E-01
DAV: 10 -0.913434383155E+02 0.83599E-02 -0.43732E-02 768 0.109E+00 0.299E-01
DAV: 11 -0.913477640612E+02 -0.43257E-02 -0.11592E-02 616 0.560E-01 0.133E-01
DAV: 12 -0.913509591802E+02 -0.31951E-02 -0.28268E-03 634 0.249E-01 0.106E-01
DAV: 13 -0.913544090446E+02 -0.34499E-02 -0.10767E-03 661 0.179E-01 0.461E-02
DAV: 14 -0.913577252978E+02 -0.33163E-02 -0.80579E-04 664 0.157E-01 0.383E-02
DAV: 15 -0.913590523782E+02 -0.13271E-02 -0.15765E-04 752 0.879E-02 0.336E-02
DAV: 16 -0.913605389850E+02 -0.14866E-02 -0.31020E-04 645 0.859E-02 0.159E-02
DAV: 17 -0.913610278137E+02 -0.48883E-03 -0.75041E-05 712 0.567E-02 0.137E-02
DAV: 18 -0.913612753362E+02 -0.24752E-03 -0.43921E-05 632 0.305E-02 0.829E-03
DAV: 19 -0.913613207360E+02 -0.45400E-04 -0.58040E-06 504 0.127E-02 0.486E-03
DAV: 20 -0.913613491463E+02 -0.28410E-04 -0.50446E-06 429 0.145E-02 0.152E-03
DAV: 21 -0.913613723735E+02 -0.23227E-04 -0.39070E-06 431 0.926E-03 0.218E-03
DAV: 22 -0.913613758654E+02 -0.34919E-05 -0.69448E-07 504 0.415E-03
1 F= -.91361376E+02 E0= -.91366214E+02 d E =0.145152E-01