./iterations/neb0_image01_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 0.366894531974E+03 0.36689E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.348433982029E+01 -0.36341E+03 -0.34998E+03 839 0.195E+02
DAV: 3 -0.955842092682E+02 -0.99069E+02 -0.98725E+02 669 0.116E+02
DAV: 4 -0.100200267972E+03 -0.46161E+01 -0.46062E+01 693 0.287E+01
DAV: 5 -0.100293372383E+03 -0.93104E-01 -0.93051E-01 736 0.361E+00 0.223E+01
DAV: 6 -0.916716864260E+02 0.86217E+01 -0.30996E+01 704 0.298E+01 0.117E+01
DAV: 7 -0.908512764330E+02 0.82041E+00 -0.18374E+00 720 0.636E+00 0.484E+00
DAV: 8 -0.904697094251E+02 0.38157E+00 -0.56079E-01 704 0.429E+00 0.168E+00
DAV: 9 -0.903841812707E+02 0.85528E-01 -0.13758E-01 696 0.165E+00 0.430E-01
DAV: 10 -0.903784204725E+02 0.57608E-02 -0.44613E-02 728 0.125E+00 0.314E-01
DAV: 11 -0.903821991909E+02 -0.37787E-02 -0.66541E-03 605 0.469E-01 0.147E-01
DAV: 12 -0.903856155005E+02 -0.34163E-02 -0.66131E-03 618 0.479E-01 0.123E-01
DAV: 13 -0.903884463966E+02 -0.28309E-02 -0.11271E-03 781 0.285E-01 0.772E-02
DAV: 14 -0.903914067652E+02 -0.29604E-02 -0.16502E-03 637 0.196E-01 0.596E-02
DAV: 15 -0.903936281808E+02 -0.22214E-02 -0.44479E-04 736 0.145E-01 0.411E-02
DAV: 16 -0.903947507515E+02 -0.11226E-02 -0.53895E-04 672 0.129E-01 0.337E-02
DAV: 17 -0.903956846071E+02 -0.93386E-03 -0.17191E-04 735 0.871E-02 0.206E-02
DAV: 18 -0.903958723569E+02 -0.18775E-03 -0.47710E-05 704 0.348E-02 0.135E-02
DAV: 19 -0.903961271704E+02 -0.25481E-03 -0.52389E-05 627 0.370E-02 0.468E-03
DAV: 20 -0.903961802387E+02 -0.53068E-04 -0.41469E-06 480 0.119E-02 0.428E-03
DAV: 21 -0.903962222640E+02 -0.42025E-04 -0.53587E-06 411 0.116E-02 0.192E-03
DAV: 22 -0.903962395190E+02 -0.17255E-04 -0.33782E-06 477 0.787E-03 0.163E-03
DAV: 23 -0.903962421096E+02 -0.25905E-05 -0.59853E-07 496 0.406E-03
1 F= -.90396242E+02 E0= -.90401887E+02 d E =0.169345E-01