iterations/neb0_image08_iter43_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 0.375911488002E+03 0.37591E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.376413553376E+01 -0.37215E+03 -0.35840E+03 869 0.196E+02
DAV: 3 -0.966789058258E+02 -0.10044E+03 -0.10011E+03 680 0.117E+02
DAV: 4 -0.101077188116E+03 -0.43983E+01 -0.43881E+01 696 0.280E+01
DAV: 5 -0.101162858478E+03 -0.85670E-01 -0.85633E-01 728 0.353E+00 0.227E+01
DAV: 6 -0.925324461369E+02 0.86304E+01 -0.30750E+01 690 0.302E+01 0.119E+01
DAV: 7 -0.916623782885E+02 0.87007E+00 -0.16937E+00 728 0.617E+00 0.481E+00
DAV: 8 -0.912832662690E+02 0.37911E+00 -0.55687E-01 696 0.403E+00 0.164E+00
DAV: 9 -0.911989485016E+02 0.84318E-01 -0.12982E-01 704 0.156E+00 0.430E-01
DAV: 10 -0.911894444790E+02 0.95040E-02 -0.44837E-02 752 0.109E+00 0.302E-01
DAV: 11 -0.911946941138E+02 -0.52496E-02 -0.15507E-02 605 0.653E-01 0.182E-01
DAV: 12 -0.911967896968E+02 -0.20956E-02 -0.25286E-03 658 0.253E-01 0.109E-01
DAV: 13 -0.912010317875E+02 -0.42421E-02 -0.28173E-03 642 0.270E-01 0.591E-02
DAV: 14 -0.912030714535E+02 -0.20397E-02 -0.53426E-04 688 0.165E-01 0.319E-02
DAV: 15 -0.912060450826E+02 -0.29736E-02 -0.52165E-04 625 0.106E-01 0.303E-02
DAV: 16 -0.912066517861E+02 -0.60670E-03 -0.60367E-05 712 0.588E-02 0.142E-02
DAV: 17 -0.912076288375E+02 -0.97705E-03 -0.20198E-04 628 0.762E-02 0.174E-02
DAV: 18 -0.912078247220E+02 -0.19588E-03 -0.22226E-05 600 0.399E-02 0.111E-02
DAV: 19 -0.912079476556E+02 -0.12293E-03 -0.32368E-05 559 0.276E-02 0.366E-03
DAV: 20 -0.912079875698E+02 -0.39914E-04 -0.40451E-06 488 0.103E-02 0.332E-03
DAV: 21 -0.912080111578E+02 -0.23588E-04 -0.27506E-06 407 0.663E-03 0.297E-03
DAV: 22 -0.912080186377E+02 -0.74799E-05 -0.19393E-06 463 0.103E-02
1 F= -.91208019E+02 E0= -.91213465E+02 d E =0.163401E-01