iterations/neb0_image01_iter270_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 0.362473359202E+03 0.36247E+03 -0.14328E+04 632 0.799E+02
DAV: 2 0.400913856964E+01 -0.35846E+03 -0.34433E+03 823 0.195E+02
DAV: 3 -0.954915954607E+02 -0.99501E+02 -0.99147E+02 664 0.116E+02
DAV: 4 -0.100208196463E+03 -0.47166E+01 -0.47038E+01 696 0.291E+01
DAV: 5 -0.100299989451E+03 -0.91793E-01 -0.91748E-01 728 0.367E+00 0.222E+01
DAV: 6 -0.916933034520E+02 0.86067E+01 -0.30929E+01 677 0.299E+01 0.117E+01
DAV: 7 -0.908923928990E+02 0.80091E+00 -0.18398E+00 712 0.639E+00 0.484E+00
DAV: 8 -0.905151199598E+02 0.37727E+00 -0.55176E-01 696 0.430E+00 0.169E+00
DAV: 9 -0.904302068094E+02 0.84913E-01 -0.13583E-01 720 0.165E+00 0.426E-01
DAV: 10 -0.904252384427E+02 0.49684E-02 -0.45445E-02 704 0.124E+00 0.316E-01
DAV: 11 -0.904290078608E+02 -0.37694E-02 -0.64693E-03 608 0.488E-01 0.141E-01
DAV: 12 -0.904326191118E+02 -0.36113E-02 -0.74219E-03 626 0.502E-01 0.134E-01
DAV: 13 -0.904352132250E+02 -0.25941E-02 -0.17488E-03 904 0.328E-01 0.755E-02
DAV: 14 -0.904382523719E+02 -0.30391E-02 -0.12890E-03 642 0.171E-01 0.598E-02
DAV: 15 -0.904402238054E+02 -0.19714E-02 -0.37266E-04 680 0.110E-01 0.467E-02
DAV: 16 -0.904417335229E+02 -0.15097E-02 -0.86019E-04 666 0.174E-01 0.361E-02
DAV: 17 -0.904424391611E+02 -0.70564E-03 -0.12744E-04 704 0.804E-02 0.266E-02
DAV: 18 -0.904427097923E+02 -0.27063E-03 -0.11563E-04 645 0.552E-02 0.863E-03
DAV: 19 -0.904428593092E+02 -0.14952E-03 -0.27769E-05 517 0.269E-02 0.645E-03
DAV: 20 -0.904428929844E+02 -0.33675E-04 -0.49575E-06 480 0.142E-02 0.786E-03
DAV: 21 -0.904429305359E+02 -0.37552E-04 -0.75425E-06 409 0.184E-02 0.413E-03
DAV: 22 -0.904429369096E+02 -0.63737E-05 -0.61540E-06 488 0.140E-02
1 F= -.90442937E+02 E0= -.90448740E+02 d E =0.174103E-01