./iterations/neb0_image01_iter250_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 0.365840366687E+03 0.36584E+03 -0.14301E+04 624 0.799E+02
DAV: 2 0.330314729919E+01 -0.36254E+03 -0.34933E+03 839 0.196E+02
DAV: 3 -0.955061671506E+02 -0.98809E+02 -0.98463E+02 648 0.116E+02
DAV: 4 -0.100249439980E+03 -0.47433E+01 -0.47310E+01 696 0.297E+01
DAV: 5 -0.100342765905E+03 -0.93326E-01 -0.93282E-01 736 0.376E+00 0.222E+01
DAV: 6 -0.917022378137E+02 0.86405E+01 -0.31013E+01 688 0.300E+01 0.117E+01
DAV: 7 -0.908929781410E+02 0.80926E+00 -0.18349E+00 704 0.638E+00 0.484E+00
DAV: 8 -0.905151428766E+02 0.37784E+00 -0.55303E-01 696 0.429E+00 0.168E+00
DAV: 9 -0.904313241498E+02 0.83819E-01 -0.13475E-01 720 0.165E+00 0.424E-01
DAV: 10 -0.904266444731E+02 0.46797E-02 -0.46722E-02 728 0.125E+00 0.320E-01
DAV: 11 -0.904305239997E+02 -0.38795E-02 -0.68667E-03 608 0.519E-01 0.132E-01
DAV: 12 -0.904341616543E+02 -0.36377E-02 -0.73031E-03 637 0.487E-01 0.136E-01
DAV: 13 -0.904366314066E+02 -0.24698E-02 -0.18066E-03 877 0.328E-01 0.749E-02
DAV: 14 -0.904396850799E+02 -0.30537E-02 -0.13464E-03 642 0.177E-01 0.639E-02
DAV: 15 -0.904415376098E+02 -0.18525E-02 -0.34940E-04 680 0.109E-01 0.512E-02
DAV: 16 -0.904429937316E+02 -0.14561E-02 -0.95765E-04 666 0.187E-01 0.364E-02
DAV: 17 -0.904437390646E+02 -0.74533E-03 -0.12729E-04 672 0.768E-02 0.307E-02
DAV: 18 -0.904440391619E+02 -0.30010E-03 -0.12257E-04 656 0.585E-02 0.106E-02
DAV: 19 -0.904441816761E+02 -0.14251E-03 -0.39501E-05 653 0.318E-02 0.829E-03
DAV: 20 -0.904442148760E+02 -0.33200E-04 -0.31094E-06 488 0.139E-02 0.898E-03
DAV: 21 -0.904442531781E+02 -0.38302E-04 -0.83596E-06 420 0.200E-02 0.457E-03
DAV: 22 -0.904442586224E+02 -0.54443E-05 -0.72884E-06 496 0.147E-02
1 F= -.90444259E+02 E0= -.90449964E+02 d E =0.171160E-01