./iterations/neb0_image03_iter123_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 0.366639666765E+03 0.36664E+03 -0.14319E+04 632 0.799E+02
DAV: 2 0.272697149901E+01 -0.36391E+03 -0.35271E+03 853 0.195E+02
DAV: 3 -0.957033283307E+02 -0.98430E+02 -0.98122E+02 669 0.116E+02
DAV: 4 -0.100174797983E+03 -0.44715E+01 -0.44620E+01 704 0.282E+01
DAV: 5 -0.100264524650E+03 -0.89727E-01 -0.89689E-01 736 0.354E+00 0.222E+01
DAV: 6 -0.916821559325E+02 0.85824E+01 -0.30667E+01 680 0.296E+01 0.116E+01
DAV: 7 -0.908394840078E+02 0.84267E+00 -0.18213E+00 704 0.640E+00 0.482E+00
DAV: 8 -0.904378506659E+02 0.40163E+00 -0.56303E-01 704 0.431E+00 0.166E+00
DAV: 9 -0.903428959095E+02 0.94955E-01 -0.12940E-01 696 0.186E+00 0.455E-01
DAV: 10 -0.903346509288E+02 0.82450E-02 -0.35752E-02 712 0.942E-01 0.330E-01
DAV: 11 -0.903373789920E+02 -0.27281E-02 -0.84247E-03 741 0.638E-01 0.165E-01
DAV: 12 -0.903390443458E+02 -0.16654E-02 -0.28230E-03 653 0.390E-01 0.112E-01
DAV: 13 -0.903436743443E+02 -0.46300E-02 -0.31135E-03 632 0.284E-01 0.867E-02
DAV: 14 -0.903477957773E+02 -0.41214E-02 -0.10558E-03 647 0.163E-01 0.394E-02
DAV: 15 -0.903499551997E+02 -0.21594E-02 -0.29950E-04 800 0.993E-02 0.241E-02
DAV: 16 -0.903517490994E+02 -0.17939E-02 -0.14904E-04 669 0.555E-02 0.135E-02
DAV: 17 -0.903528673331E+02 -0.11182E-02 -0.11703E-04 648 0.418E-02 0.710E-03
DAV: 18 -0.903531510216E+02 -0.28369E-03 -0.28439E-05 608 0.207E-02 0.444E-03
DAV: 19 -0.903532451014E+02 -0.94080E-04 -0.54058E-06 444 0.146E-02 0.224E-03
DAV: 20 -0.903533117694E+02 -0.66668E-04 -0.11095E-05 450 0.126E-02 0.262E-03
DAV: 21 -0.903533210580E+02 -0.92885E-05 -0.16962E-06 520 0.106E-02
1 F= -.90353321E+02 E0= -.90361994E+02 d E =0.260187E-01