iterations/neb0_image01_iter97_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 0.366426340575E+03 0.36643E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.341492152728E+01 -0.36301E+03 -0.34966E+03 839 0.195E+02
DAV: 3 -0.957689781753E+02 -0.99184E+02 -0.98843E+02 688 0.116E+02
DAV: 4 -0.100191355343E+03 -0.44224E+01 -0.44132E+01 685 0.279E+01
DAV: 5 -0.100279146778E+03 -0.87791E-01 -0.87739E-01 744 0.350E+00 0.222E+01
DAV: 6 -0.916785502418E+02 0.86006E+01 -0.31115E+01 693 0.299E+01 0.117E+01
DAV: 7 -0.908681048478E+02 0.81045E+00 -0.18165E+00 720 0.636E+00 0.484E+00
DAV: 8 -0.904883961768E+02 0.37971E+00 -0.55786E-01 712 0.428E+00 0.167E+00
DAV: 9 -0.904039543058E+02 0.84442E-01 -0.13548E-01 704 0.164E+00 0.427E-01
DAV: 10 -0.903986325215E+02 0.53218E-02 -0.45522E-02 720 0.125E+00 0.315E-01
DAV: 11 -0.904025164928E+02 -0.38840E-02 -0.67409E-03 608 0.480E-01 0.141E-01
DAV: 12 -0.904060541175E+02 -0.35376E-02 -0.68700E-03 629 0.481E-01 0.127E-01
DAV: 13 -0.904087334566E+02 -0.26793E-02 -0.13873E-03 848 0.306E-01 0.762E-02
DAV: 14 -0.904116882043E+02 -0.29547E-02 -0.14001E-03 634 0.178E-01 0.576E-02
DAV: 15 -0.904137771375E+02 -0.20889E-02 -0.39404E-04 680 0.120E-01 0.452E-02
DAV: 16 -0.904150842145E+02 -0.13071E-02 -0.70750E-04 653 0.156E-01 0.338E-02
DAV: 17 -0.904159215276E+02 -0.83731E-03 -0.17334E-04 821 0.929E-02 0.209E-02
DAV: 18 -0.904160754949E+02 -0.15397E-03 -0.39848E-05 696 0.323E-02 0.135E-02
DAV: 19 -0.904163302500E+02 -0.25476E-03 -0.65193E-05 633 0.412E-02 0.616E-03
DAV: 20 -0.904163487286E+02 -0.18479E-04 -0.48968E-06 488 0.138E-02 0.614E-03
DAV: 21 -0.904163843340E+02 -0.35605E-04 -0.60577E-06 414 0.154E-02 0.420E-03
DAV: 22 -0.904164043659E+02 -0.20032E-04 -0.37431E-06 477 0.109E-02 0.282E-03
DAV: 23 -0.904164070374E+02 -0.26715E-05 -0.28806E-06 520 0.941E-03
1 F= -.90416407E+02 E0= -.90421555E+02 d E =0.154431E-01