./iterations/neb0_image02_iter21_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 0.365607176083E+03 0.36561E+03 -0.14276E+04 624 0.799E+02
DAV: 2 0.334540087556E+01 -0.36226E+03 -0.34885E+03 847 0.195E+02
DAV: 3 -0.953028092642E+02 -0.98648E+02 -0.98309E+02 688 0.116E+02
DAV: 4 -0.997656882255E+02 -0.44629E+01 -0.44511E+01 712 0.278E+01
DAV: 5 -0.998542761807E+02 -0.88588E-01 -0.88538E-01 728 0.348E+00 0.221E+01
DAV: 6 -0.912882587255E+02 0.85660E+01 -0.30756E+01 712 0.298E+01 0.116E+01
DAV: 7 -0.904698611616E+02 0.81840E+00 -0.17939E+00 704 0.646E+00 0.483E+00
DAV: 8 -0.900841111772E+02 0.38575E+00 -0.60046E-01 728 0.450E+00 0.167E+00
DAV: 9 -0.899983677555E+02 0.85743E-01 -0.13880E-01 728 0.167E+00 0.446E-01
DAV: 10 -0.899912330593E+02 0.71347E-02 -0.35485E-02 744 0.116E+00 0.301E-01
DAV: 11 -0.899948422213E+02 -0.36092E-02 -0.67805E-03 608 0.437E-01 0.164E-01
DAV: 12 -0.899977629692E+02 -0.29207E-02 -0.49210E-03 632 0.441E-01 0.107E-01
DAV: 13 -0.900010906728E+02 -0.33277E-02 -0.90555E-04 634 0.236E-01 0.808E-02
DAV: 14 -0.900040535857E+02 -0.29629E-02 -0.15332E-03 656 0.193E-01 0.481E-02
DAV: 15 -0.900063542549E+02 -0.23007E-02 -0.42702E-04 912 0.156E-01 0.263E-02
DAV: 16 -0.900077102881E+02 -0.13560E-02 -0.17788E-04 672 0.649E-02 0.187E-02
DAV: 17 -0.900085859774E+02 -0.87569E-03 -0.11228E-04 661 0.475E-02 0.114E-02
DAV: 18 -0.900089239866E+02 -0.33801E-03 -0.89188E-05 656 0.505E-02 0.119E-02
DAV: 19 -0.900089968515E+02 -0.72865E-04 -0.78471E-06 472 0.177E-02 0.103E-02
DAV: 20 -0.900090362963E+02 -0.39445E-04 -0.17743E-05 520 0.262E-02 0.243E-03
DAV: 21 -0.900090555460E+02 -0.19250E-04 -0.37621E-06 472 0.113E-02 0.210E-03
DAV: 22 -0.900090679812E+02 -0.12435E-04 -0.18502E-06 445 0.655E-03 0.256E-03
DAV: 23 -0.900090744161E+02 -0.64349E-05 -0.84119E-07 472 0.693E-03
1 F= -.90009074E+02 E0= -.90016346E+02 d E =0.218158E-01