iterations/neb0_image01_iter240_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 0.365316914958E+03 0.36532E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.323554367468E+01 -0.36208E+03 -0.34896E+03 839 0.196E+02
DAV: 3 -0.954642437791E+02 -0.98700E+02 -0.98355E+02 645 0.116E+02
DAV: 4 -0.100214767839E+03 -0.47505E+01 -0.47382E+01 704 0.297E+01
DAV: 5 -0.100308555602E+03 -0.93788E-01 -0.93742E-01 736 0.376E+00 0.222E+01
DAV: 6 -0.916913852539E+02 0.86172E+01 -0.31033E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908911951842E+02 0.80019E+00 -0.18266E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905148966100E+02 0.37630E+00 -0.55181E-01 704 0.429E+00 0.168E+00
DAV: 9 -0.904313883941E+02 0.83508E-01 -0.13401E-01 720 0.165E+00 0.423E-01
DAV: 10 -0.904266982701E+02 0.46901E-02 -0.46616E-02 720 0.124E+00 0.319E-01
DAV: 11 -0.904306275017E+02 -0.39292E-02 -0.70712E-03 608 0.525E-01 0.129E-01
DAV: 12 -0.904342117926E+02 -0.35843E-02 -0.71299E-03 637 0.486E-01 0.136E-01
DAV: 13 -0.904365900748E+02 -0.23783E-02 -0.17642E-03 869 0.321E-01 0.746E-02
DAV: 14 -0.904396796688E+02 -0.30896E-02 -0.13800E-03 642 0.182E-01 0.641E-02
DAV: 15 -0.904414776340E+02 -0.17980E-02 -0.34236E-04 680 0.110E-01 0.525E-02
DAV: 16 -0.904428970907E+02 -0.14195E-02 -0.96769E-04 669 0.190E-01 0.355E-02
DAV: 17 -0.904436663308E+02 -0.76924E-03 -0.12958E-04 672 0.748E-02 0.321E-02
DAV: 18 -0.904439703138E+02 -0.30398E-03 -0.10385E-04 672 0.543E-02 0.133E-02
DAV: 19 -0.904441285888E+02 -0.15828E-03 -0.54527E-05 653 0.384E-02 0.842E-03
DAV: 20 -0.904441626052E+02 -0.34016E-04 -0.40576E-06 504 0.157E-02 0.935E-03
DAV: 21 -0.904442002902E+02 -0.37685E-04 -0.77862E-06 417 0.182E-02 0.555E-03
DAV: 22 -0.904442075281E+02 -0.72379E-05 -0.71639E-06 496 0.154E-02
1 F= -.90444208E+02 E0= -.90449498E+02 d E =0.158711E-01