./iterations/neb0_image06_iter107_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 0.375983786146E+03 0.37598E+03 -0.14314E+04 632 0.799E+02
DAV: 2 0.389572368103E+01 -0.37209E+03 -0.36012E+03 877 0.195E+02
DAV: 3 -0.955465913445E+02 -0.99442E+02 -0.99113E+02 645 0.117E+02
DAV: 4 -0.100274208938E+03 -0.47276E+01 -0.47165E+01 704 0.294E+01
DAV: 5 -0.100371294870E+03 -0.97086E-01 -0.97036E-01 728 0.376E+00 0.227E+01
DAV: 6 -0.917781757490E+02 0.85931E+01 -0.30758E+01 695 0.304E+01 0.118E+01
DAV: 7 -0.909427988393E+02 0.83538E+00 -0.16943E+00 728 0.624E+00 0.480E+00
DAV: 8 -0.905639465060E+02 0.37885E+00 -0.52119E-01 720 0.402E+00 0.164E+00
DAV: 9 -0.904755229874E+02 0.88424E-01 -0.12977E-01 720 0.165E+00 0.421E-01
DAV: 10 -0.904660818670E+02 0.94411E-02 -0.44890E-02 736 0.113E+00 0.306E-01
DAV: 11 -0.904702914808E+02 -0.42096E-02 -0.13433E-02 610 0.641E-01 0.164E-01
DAV: 12 -0.904719212461E+02 -0.16298E-02 -0.23285E-03 690 0.288E-01 0.116E-01
DAV: 13 -0.904764960612E+02 -0.45748E-02 -0.34595E-03 681 0.421E-01 0.650E-02
DAV: 14 -0.904784124057E+02 -0.19163E-02 -0.69007E-04 712 0.153E-01 0.512E-02
DAV: 15 -0.904812126671E+02 -0.28003E-02 -0.79092E-04 682 0.164E-01 0.369E-02
DAV: 16 -0.904825329468E+02 -0.13203E-02 -0.16019E-04 677 0.687E-02 0.299E-02
DAV: 17 -0.904832603167E+02 -0.72737E-03 -0.11658E-04 719 0.704E-02 0.129E-02
DAV: 18 -0.904839305799E+02 -0.67026E-03 -0.11534E-04 628 0.593E-02 0.133E-02
DAV: 19 -0.904840143444E+02 -0.83765E-04 -0.97261E-06 504 0.241E-02 0.985E-03
DAV: 20 -0.904841203137E+02 -0.10597E-03 -0.35238E-05 484 0.374E-02 0.842E-03
DAV: 21 -0.904841696606E+02 -0.49347E-04 -0.70711E-06 472 0.156E-02 0.666E-03
DAV: 22 -0.904841954459E+02 -0.25785E-04 -0.62514E-06 411 0.150E-02 0.345E-03
DAV: 23 -0.904842052604E+02 -0.98145E-05 -0.57079E-06 448 0.159E-02
1 F= -.90484205E+02 E0= -.90488746E+02 d E =0.136230E-01