iterations/neb0_image01_iter184_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 0.365412727275E+03 0.36541E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.315233109358E+01 -0.36226E+03 -0.34931E+03 842 0.196E+02
DAV: 3 -0.955825423644E+02 -0.98735E+02 -0.98385E+02 669 0.116E+02
DAV: 4 -0.100210394331E+03 -0.46279E+01 -0.46169E+01 688 0.287E+01
DAV: 5 -0.100303510615E+03 -0.93116E-01 -0.93067E-01 720 0.362E+00 0.222E+01
DAV: 6 -0.916795523798E+02 0.86240E+01 -0.31037E+01 688 0.299E+01 0.116E+01
DAV: 7 -0.908824496838E+02 0.79710E+00 -0.18322E+00 712 0.639E+00 0.484E+00
DAV: 8 -0.905081398871E+02 0.37431E+00 -0.54998E-01 704 0.428E+00 0.167E+00
DAV: 9 -0.904257147890E+02 0.82425E-01 -0.13255E-01 720 0.168E+00 0.423E-01
DAV: 10 -0.904211188446E+02 0.45959E-02 -0.46972E-02 720 0.124E+00 0.322E-01
DAV: 11 -0.904253064216E+02 -0.41876E-02 -0.82038E-03 608 0.589E-01 0.118E-01
DAV: 12 -0.904285496366E+02 -0.32432E-02 -0.62375E-03 629 0.431E-01 0.130E-01
DAV: 13 -0.904310221922E+02 -0.24726E-02 -0.16056E-03 861 0.308E-01 0.753E-02
DAV: 14 -0.904342767267E+02 -0.32545E-02 -0.15038E-03 631 0.198E-01 0.707E-02
DAV: 15 -0.904357639924E+02 -0.14873E-02 -0.28118E-04 720 0.114E-01 0.550E-02
DAV: 16 -0.904371530284E+02 -0.13890E-02 -0.11764E-03 661 0.212E-01 0.413E-02
DAV: 17 -0.904379477075E+02 -0.79468E-03 -0.15273E-04 664 0.851E-02 0.354E-02
DAV: 18 -0.904382427939E+02 -0.29509E-03 -0.67441E-05 688 0.408E-02 0.223E-02
DAV: 19 -0.904384572532E+02 -0.21446E-03 -0.12256E-04 628 0.654E-02 0.944E-03
DAV: 20 -0.904384860407E+02 -0.28787E-04 -0.15507E-05 512 0.252E-02 0.106E-02
DAV: 21 -0.904385217764E+02 -0.35736E-04 -0.85166E-06 415 0.178E-02 0.831E-03
DAV: 22 -0.904385402645E+02 -0.18488E-04 -0.61768E-06 471 0.215E-02 0.401E-03
DAV: 23 -0.904385441461E+02 -0.38816E-05 -0.10575E-05 504 0.179E-02
1 F= -.90438544E+02 E0= -.90444180E+02 d E =0.169063E-01