iterations/neb0_image06_iter226_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 0.372539161266E+03 0.37254E+03 -0.14310E+04 632 0.799E+02
DAV: 2 0.439120060266E+01 -0.36815E+03 -0.35583E+03 866 0.194E+02
DAV: 3 -0.953360663416E+02 -0.99727E+02 -0.99344E+02 656 0.116E+02
DAV: 4 -0.100163372326E+03 -0.48273E+01 -0.48115E+01 728 0.292E+01
DAV: 5 -0.100264449938E+03 -0.10108E+00 -0.10104E+00 720 0.377E+00 0.224E+01
DAV: 6 -0.917423761491E+02 0.85221E+01 -0.30275E+01 709 0.302E+01 0.117E+01
DAV: 7 -0.909266126414E+02 0.81576E+00 -0.17532E+00 720 0.631E+00 0.481E+00
DAV: 8 -0.905520942597E+02 0.37452E+00 -0.56752E-01 696 0.420E+00 0.166E+00
DAV: 9 -0.904631193883E+02 0.88975E-01 -0.12881E-01 720 0.161E+00 0.430E-01
DAV: 10 -0.904528307138E+02 0.10289E-01 -0.36527E-02 736 0.937E-01 0.288E-01
DAV: 11 -0.904569900458E+02 -0.41593E-02 -0.10275E-02 605 0.528E-01 0.158E-01
DAV: 12 -0.904592071939E+02 -0.22171E-02 -0.29317E-03 642 0.310E-01 0.835E-02
DAV: 13 -0.904631945865E+02 -0.39874E-02 -0.17376E-03 617 0.194E-01 0.686E-02
DAV: 14 -0.904664169060E+02 -0.32223E-02 -0.87996E-04 752 0.215E-01 0.352E-02
DAV: 15 -0.904684263053E+02 -0.20094E-02 -0.29690E-04 677 0.957E-02 0.351E-02
DAV: 16 -0.904700098218E+02 -0.15835E-02 -0.33725E-04 722 0.107E-01 0.175E-02
DAV: 17 -0.904707346796E+02 -0.72486E-03 -0.10433E-04 685 0.565E-02 0.133E-02
DAV: 18 -0.904709376781E+02 -0.20300E-03 -0.19653E-05 552 0.197E-02 0.773E-03
DAV: 19 -0.904710907465E+02 -0.15307E-03 -0.27049E-05 519 0.254E-02 0.284E-03
DAV: 20 -0.904711078357E+02 -0.17089E-04 -0.24260E-06 512 0.910E-03 0.211E-03
DAV: 21 -0.904711303449E+02 -0.22509E-04 -0.37292E-06 395 0.956E-03 0.972E-04
DAV: 22 -0.904711330703E+02 -0.27255E-05 -0.62360E-07 458 0.438E-03
1 F= -.90471133E+02 E0= -.90475804E+02 d E =0.140113E-01