./iterations/neb0_image09_iter223_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 0.374030722420E+03 0.37403E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.329360050939E+01 -0.37074E+03 -0.35811E+03 869 0.196E+02
DAV: 3 -0.967232179001E+02 -0.10002E+03 -0.99687E+02 661 0.117E+02
DAV: 4 -0.101256657936E+03 -0.45334E+01 -0.45228E+01 720 0.287E+01
DAV: 5 -0.101345648520E+03 -0.88991E-01 -0.88950E-01 720 0.365E+00 0.227E+01
DAV: 6 -0.926772550897E+02 0.86684E+01 -0.30989E+01 725 0.301E+01 0.119E+01
DAV: 7 -0.918103657025E+02 0.86689E+00 -0.17131E+00 720 0.612E+00 0.479E+00
DAV: 8 -0.914348597353E+02 0.37551E+00 -0.54469E-01 712 0.395E+00 0.162E+00
DAV: 9 -0.913540585746E+02 0.80801E-01 -0.13145E-01 712 0.155E+00 0.422E-01
DAV: 10 -0.913458882050E+02 0.81704E-02 -0.44041E-02 760 0.109E+00 0.300E-01
DAV: 11 -0.913502711228E+02 -0.43829E-02 -0.11839E-02 608 0.566E-01 0.133E-01
DAV: 12 -0.913535008685E+02 -0.32297E-02 -0.28489E-03 623 0.245E-01 0.107E-01
DAV: 13 -0.913569825451E+02 -0.34817E-02 -0.12551E-03 663 0.193E-01 0.439E-02
DAV: 14 -0.913603717169E+02 -0.33892E-02 -0.75701E-04 656 0.156E-01 0.369E-02
DAV: 15 -0.913614893705E+02 -0.11177E-02 -0.12957E-04 768 0.800E-02 0.333E-02
DAV: 16 -0.913629836256E+02 -0.14943E-02 -0.35332E-04 642 0.969E-02 0.179E-02
DAV: 17 -0.913633961567E+02 -0.41253E-03 -0.73461E-05 744 0.618E-02 0.119E-02
DAV: 18 -0.913636284571E+02 -0.23230E-03 -0.32648E-05 565 0.244E-02 0.845E-03
DAV: 19 -0.913637105982E+02 -0.82141E-04 -0.10469E-05 488 0.159E-02 0.324E-03
DAV: 20 -0.913637411679E+02 -0.30570E-04 -0.53422E-06 432 0.135E-02 0.154E-03
DAV: 21 -0.913637576969E+02 -0.16529E-04 -0.25594E-06 442 0.675E-03 0.194E-03
DAV: 22 -0.913637610843E+02 -0.33874E-05 -0.57817E-07 488 0.395E-03
1 F= -.91363761E+02 E0= -.91368574E+02 d E =0.144401E-01