./iterations/neb0_image06_iter48_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 0.376413820964E+03 0.37641E+03 -0.14319E+04 632 0.799E+02
DAV: 2 0.481124747869E+01 -0.37160E+03 -0.35841E+03 861 0.195E+02
DAV: 3 -0.955484979679E+02 -0.10036E+03 -0.10003E+03 656 0.117E+02
DAV: 4 -0.100074927237E+03 -0.45264E+01 -0.45154E+01 712 0.291E+01
DAV: 5 -0.100165896009E+03 -0.90969E-01 -0.90938E-01 728 0.370E+00 0.227E+01
DAV: 6 -0.914863832714E+02 0.86795E+01 -0.30623E+01 682 0.306E+01 0.118E+01
DAV: 7 -0.906207901201E+02 0.86559E+00 -0.17218E+00 720 0.631E+00 0.481E+00
DAV: 8 -0.902375058140E+02 0.38328E+00 -0.52432E-01 696 0.404E+00 0.167E+00
DAV: 9 -0.901464235135E+02 0.91082E-01 -0.12901E-01 720 0.183E+00 0.459E-01
DAV: 10 -0.901369277027E+02 0.94958E-02 -0.23359E-02 792 0.858E-01 0.296E-01
DAV: 11 -0.901389139373E+02 -0.19862E-02 -0.16170E-02 688 0.876E-01 0.219E-01
DAV: 12 -0.901398130568E+02 -0.89912E-03 -0.37392E-03 872 0.560E-01 0.120E-01
DAV: 13 -0.901438223222E+02 -0.40093E-02 -0.37267E-03 597 0.340E-01 0.126E-01
DAV: 14 -0.901469509474E+02 -0.31286E-02 -0.11395E-03 696 0.213E-01 0.600E-02
DAV: 15 -0.901503018069E+02 -0.33509E-02 -0.10135E-03 674 0.179E-01 0.483E-02
DAV: 16 -0.901527618586E+02 -0.24601E-02 -0.74624E-04 664 0.153E-01 0.307E-02
DAV: 17 -0.901535383003E+02 -0.77644E-03 -0.10337E-04 696 0.631E-02 0.193E-02
DAV: 18 -0.901539618665E+02 -0.42357E-03 -0.98850E-05 652 0.540E-02 0.783E-03
DAV: 19 -0.901541794803E+02 -0.21761E-03 -0.16872E-05 493 0.242E-02 0.744E-03
DAV: 20 -0.901542700553E+02 -0.90575E-04 -0.11014E-05 456 0.176E-02 0.380E-03
DAV: 21 -0.901543078439E+02 -0.37789E-04 -0.80109E-06 466 0.154E-02 0.266E-03
DAV: 22 -0.901543187000E+02 -0.10856E-04 -0.19846E-06 480 0.706E-03 0.195E-03
DAV: 23 -0.901543247234E+02 -0.60234E-05 -0.96240E-07 428 0.465E-03
1 F= -.90154325E+02 E0= -.90163864E+02 d E =0.286164E-01