iterations/neb0_image04_iter80_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 0.371038118363E+03 0.37104E+03 -0.14317E+04 632 0.799E+02
DAV: 2 0.447394051076E+01 -0.36656E+03 -0.35375E+03 850 0.195E+02
DAV: 3 -0.954445066643E+02 -0.99918E+02 -0.99607E+02 682 0.117E+02
DAV: 4 -0.998002191554E+02 -0.43557E+01 -0.43454E+01 712 0.278E+01
DAV: 5 -0.998832565918E+02 -0.83037E-01 -0.83004E-01 728 0.348E+00 0.222E+01
DAV: 6 -0.913899606874E+02 0.84933E+01 -0.29986E+01 671 0.295E+01 0.116E+01
DAV: 7 -0.905323319250E+02 0.85763E+00 -0.17264E+00 720 0.626E+00 0.479E+00
DAV: 8 -0.901339892270E+02 0.39834E+00 -0.55728E-01 712 0.423E+00 0.164E+00
DAV: 9 -0.900397019256E+02 0.94287E-01 -0.13594E-01 712 0.171E+00 0.434E-01
DAV: 10 -0.900305179741E+02 0.91840E-02 -0.55540E-02 712 0.131E+00 0.342E-01
DAV: 11 -0.900345257097E+02 -0.40077E-02 -0.11741E-02 602 0.616E-01 0.131E-01
DAV: 12 -0.900371598519E+02 -0.26341E-02 -0.45551E-03 639 0.309E-01 0.131E-01
DAV: 13 -0.900407438097E+02 -0.35840E-02 -0.17480E-03 853 0.330E-01 0.724E-02
DAV: 14 -0.900440354881E+02 -0.32917E-02 -0.10995E-03 642 0.154E-01 0.548E-02
DAV: 15 -0.900466985018E+02 -0.26630E-02 -0.40229E-04 714 0.109E-01 0.403E-02
DAV: 16 -0.900481264487E+02 -0.14279E-02 -0.54178E-04 688 0.125E-01 0.311E-02
DAV: 17 -0.900489306035E+02 -0.80415E-03 -0.19051E-04 855 0.904E-02 0.135E-02
DAV: 18 -0.900491902429E+02 -0.25964E-03 -0.36920E-05 600 0.362E-02 0.728E-03
DAV: 19 -0.900493699475E+02 -0.17970E-03 -0.25719E-05 521 0.209E-02 0.366E-03
DAV: 20 -0.900493830255E+02 -0.13078E-04 -0.24650E-06 528 0.109E-02 0.338E-03
DAV: 21 -0.900494362604E+02 -0.53235E-04 -0.73552E-06 406 0.129E-02 0.260E-03
DAV: 22 -0.900494437305E+02 -0.74701E-05 -0.15990E-06 485 0.694E-03
1 F= -.90049444E+02 E0= -.90053548E+02 d E =0.123116E-01