iterations/neb0_image04_iter299_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 0.365539720717E+03 0.36554E+03 -0.14307E+04 624 0.799E+02
DAV: 2 0.632268988925E+00 -0.36491E+03 -0.35305E+03 869 0.195E+02
DAV: 3 -0.960949118262E+02 -0.96727E+02 -0.96424E+02 661 0.115E+02
DAV: 4 -0.100339053221E+03 -0.42441E+01 -0.42360E+01 720 0.278E+01
DAV: 5 -0.100420896519E+03 -0.81843E-01 -0.81817E-01 736 0.346E+00 0.223E+01
DAV: 6 -0.916873642100E+02 0.87335E+01 -0.31501E+01 666 0.300E+01 0.117E+01
DAV: 7 -0.908351551053E+02 0.85221E+00 -0.17947E+00 720 0.651E+00 0.486E+00
DAV: 8 -0.904335722343E+02 0.40158E+00 -0.53204E-01 704 0.451E+00 0.184E+00
DAV: 9 -0.903446182233E+02 0.88954E-01 -0.15133E-01 720 0.231E+00 0.627E-01
DAV: 10 -0.903270001367E+02 0.17618E-01 -0.38605E-02 720 0.106E+00 0.369E-01
DAV: 11 -0.903296089977E+02 -0.26089E-02 -0.20464E-02 664 0.823E-01 0.342E-01
DAV: 12 -0.903306000975E+02 -0.99110E-03 -0.39512E-03 680 0.637E-01 0.155E-01
DAV: 13 -0.903342242045E+02 -0.36241E-02 -0.51438E-03 618 0.462E-01 0.117E-01
DAV: 14 -0.903364944309E+02 -0.22702E-02 -0.11130E-03 645 0.211E-01 0.779E-02
DAV: 15 -0.903403309060E+02 -0.38365E-02 -0.21788E-03 625 0.266E-01 0.679E-02
DAV: 16 -0.903417652900E+02 -0.14344E-02 -0.38679E-04 824 0.174E-01 0.285E-02
DAV: 17 -0.903434559623E+02 -0.16907E-02 -0.49286E-04 649 0.110E-01 0.293E-02
DAV: 18 -0.903441526760E+02 -0.69671E-03 -0.63651E-05 656 0.520E-02 0.230E-02
DAV: 19 -0.903444693354E+02 -0.31666E-03 -0.14393E-04 666 0.741E-02 0.119E-02
DAV: 20 -0.903446612050E+02 -0.19187E-03 -0.41767E-05 585 0.419E-02 0.827E-03
DAV: 21 -0.903447011012E+02 -0.39896E-04 -0.58510E-06 504 0.134E-02 0.693E-03
DAV: 22 -0.903447231706E+02 -0.22069E-04 -0.46721E-06 426 0.126E-02 0.279E-03
DAV: 23 -0.903447328062E+02 -0.96356E-05 -0.49336E-06 466 0.132E-02
1 F= -.90344733E+02 E0= -.90352909E+02 d E =0.245289E-01