./iterations/neb0_image06_iter264_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 0.373319103683E+03 0.37332E+03 -0.14312E+04 632 0.799E+02
DAV: 2 0.604406874811E+01 -0.36728E+03 -0.35443E+03 850 0.194E+02
DAV: 3 -0.948954804491E+02 -0.10094E+03 -0.10053E+03 688 0.117E+02
DAV: 4 -0.996097556311E+02 -0.47143E+01 -0.46993E+01 736 0.280E+01
DAV: 5 -0.997076093121E+02 -0.97854E-01 -0.97810E-01 712 0.356E+00 0.223E+01
DAV: 6 -0.912242166156E+02 0.84834E+01 -0.30055E+01 696 0.304E+01 0.117E+01
DAV: 7 -0.904257951051E+02 0.79842E+00 -0.17415E+00 704 0.639E+00 0.479E+00
DAV: 8 -0.900554219818E+02 0.37037E+00 -0.54374E-01 704 0.411E+00 0.170E+00
DAV: 9 -0.899635475734E+02 0.91874E-01 -0.13035E-01 712 0.165E+00 0.433E-01
DAV: 10 -0.899538321737E+02 0.97154E-02 -0.33798E-02 765 0.908E-01 0.289E-01
DAV: 11 -0.899580326467E+02 -0.42005E-02 -0.13569E-02 608 0.682E-01 0.198E-01
DAV: 12 -0.899587889740E+02 -0.75633E-03 -0.39848E-03 717 0.406E-01 0.101E-01
DAV: 13 -0.899635308465E+02 -0.47419E-02 -0.38954E-03 611 0.367E-01 0.973E-02
DAV: 14 -0.899649566145E+02 -0.14258E-02 -0.49950E-04 760 0.181E-01 0.572E-02
DAV: 15 -0.899682223638E+02 -0.32657E-02 -0.13492E-03 619 0.220E-01 0.451E-02
DAV: 16 -0.899700720542E+02 -0.18497E-02 -0.31593E-04 912 0.130E-01 0.218E-02
DAV: 17 -0.899710320091E+02 -0.95995E-03 -0.14732E-04 666 0.566E-02 0.129E-02
DAV: 18 -0.899715594638E+02 -0.52745E-03 -0.65054E-05 583 0.346E-02 0.129E-02
DAV: 19 -0.899716907056E+02 -0.13124E-03 -0.11388E-05 496 0.297E-02 0.605E-03
DAV: 20 -0.899717743379E+02 -0.83632E-04 -0.39908E-05 542 0.331E-02 0.805E-03
DAV: 21 -0.899717938431E+02 -0.19505E-04 -0.52152E-06 480 0.205E-02 0.309E-03
DAV: 22 -0.899718049970E+02 -0.11154E-04 -0.43604E-06 398 0.104E-02 0.967E-04
DAV: 23 -0.899718087015E+02 -0.37045E-05 -0.16547E-06 480 0.706E-03
1 F= -.89971809E+02 E0= -.89976293E+02 d E =0.134543E-01