iterations/neb0_image02_iter212_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 0.366761731650E+03 0.36676E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.136503856953E+01 -0.36540E+03 -0.35445E+03 869 0.196E+02
DAV: 3 -0.957395757813E+02 -0.97105E+02 -0.96773E+02 648 0.116E+02
DAV: 4 -0.100249215755E+03 -0.45096E+01 -0.44990E+01 704 0.289E+01
DAV: 5 -0.100337653401E+03 -0.88438E-01 -0.88399E-01 736 0.363E+00 0.222E+01
DAV: 6 -0.916750231515E+02 0.86626E+01 -0.30953E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.908534358097E+02 0.82159E+00 -0.18321E+00 720 0.637E+00 0.484E+00
DAV: 8 -0.904724087025E+02 0.38103E+00 -0.55404E-01 696 0.431E+00 0.169E+00
DAV: 9 -0.903869244303E+02 0.85484E-01 -0.13567E-01 720 0.168E+00 0.428E-01
DAV: 10 -0.903819266243E+02 0.49978E-02 -0.47836E-02 704 0.122E+00 0.329E-01
DAV: 11 -0.903858833878E+02 -0.39568E-02 -0.84194E-03 688 0.637E-01 0.112E-01
DAV: 12 -0.903883648738E+02 -0.24815E-02 -0.49270E-03 640 0.334E-01 0.121E-01
DAV: 13 -0.903915795174E+02 -0.32146E-02 -0.16681E-03 845 0.300E-01 0.824E-02
DAV: 14 -0.903945781108E+02 -0.29986E-02 -0.10381E-03 637 0.141E-01 0.587E-02
DAV: 15 -0.903966124621E+02 -0.20344E-02 -0.36520E-04 685 0.109E-01 0.361E-02
DAV: 16 -0.903979718408E+02 -0.13594E-02 -0.54927E-04 680 0.128E-01 0.323E-02
DAV: 17 -0.903985740704E+02 -0.60223E-03 -0.13930E-04 808 0.748E-02 0.162E-02
DAV: 18 -0.903987280845E+02 -0.15401E-03 -0.41734E-05 712 0.336E-02 0.828E-03
DAV: 19 -0.903988698421E+02 -0.14176E-03 -0.14362E-05 447 0.229E-02 0.526E-03
DAV: 20 -0.903989465339E+02 -0.76692E-04 -0.13026E-05 509 0.183E-02 0.299E-03
DAV: 21 -0.903989830211E+02 -0.36487E-04 -0.38854E-06 447 0.118E-02 0.206E-03
DAV: 22 -0.903989959447E+02 -0.12924E-04 -0.37300E-06 488 0.112E-02 0.346E-03
DAV: 23 -0.903989977183E+02 -0.17736E-05 -0.68199E-07 536 0.790E-03
1 F= -.90398998E+02 E0= -.90406467E+02 d E =0.224090E-01