iterations/neb0_image06_iter266_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 0.373485656614E+03 0.37349E+03 -0.14313E+04 632 0.799E+02
DAV: 2 0.616042996128E+01 -0.36733E+03 -0.35458E+03 845 0.194E+02
DAV: 3 -0.948927271116E+02 -0.10105E+03 -0.10064E+03 688 0.117E+02
DAV: 4 -0.995627857693E+02 -0.46701E+01 -0.46553E+01 736 0.281E+01
DAV: 5 -0.996584680606E+02 -0.95682E-01 -0.95640E-01 704 0.356E+00 0.223E+01
DAV: 6 -0.911792470023E+02 0.84792E+01 -0.30031E+01 688 0.304E+01 0.117E+01
DAV: 7 -0.903830629678E+02 0.79618E+00 -0.17423E+00 704 0.638E+00 0.480E+00
DAV: 8 -0.900130516636E+02 0.37001E+00 -0.54279E-01 712 0.412E+00 0.170E+00
DAV: 9 -0.899211737797E+02 0.91878E-01 -0.13078E-01 712 0.166E+00 0.433E-01
DAV: 10 -0.899115266986E+02 0.96471E-02 -0.34654E-02 781 0.917E-01 0.291E-01
DAV: 11 -0.899158212104E+02 -0.42945E-02 -0.13805E-02 608 0.688E-01 0.200E-01
DAV: 12 -0.899164781315E+02 -0.65692E-03 -0.39199E-03 768 0.399E-01 0.103E-01
DAV: 13 -0.899212913482E+02 -0.48132E-02 -0.38285E-03 603 0.370E-01 0.950E-02
DAV: 14 -0.899225946323E+02 -0.13033E-02 -0.50549E-04 800 0.179E-01 0.583E-02
DAV: 15 -0.899258857992E+02 -0.32912E-02 -0.12532E-03 619 0.211E-01 0.405E-02
DAV: 16 -0.899277543284E+02 -0.18685E-02 -0.23575E-04 752 0.108E-01 0.222E-02
DAV: 17 -0.899287423242E+02 -0.98800E-03 -0.20772E-04 666 0.749E-02 0.155E-02
DAV: 18 -0.899292588503E+02 -0.51653E-03 -0.56384E-05 583 0.395E-02 0.105E-02
DAV: 19 -0.899293642355E+02 -0.10539E-03 -0.18421E-05 528 0.265E-02 0.513E-03
DAV: 20 -0.899294355193E+02 -0.71284E-04 -0.94662E-06 406 0.174E-02 0.158E-03
DAV: 21 -0.899294707877E+02 -0.35268E-04 -0.50167E-06 463 0.880E-03 0.273E-03
DAV: 22 -0.899294782388E+02 -0.74511E-05 -0.11411E-06 480 0.690E-03
1 F= -.89929478E+02 E0= -.89933939E+02 d E =0.133833E-01