./iterations/neb0_image05_iter211_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 0.367937835103E+03 0.36794E+03 -0.14303E+04 624 0.799E+02
DAV: 2 0.323410064823E+01 -0.36470E+03 -0.35142E+03 856 0.195E+02
DAV: 3 -0.955533157788E+02 -0.98787E+02 -0.98450E+02 669 0.116E+02
DAV: 4 -0.100027813025E+03 -0.44745E+01 -0.44650E+01 712 0.283E+01
DAV: 5 -0.100115947365E+03 -0.88134E-01 -0.88093E-01 728 0.355E+00 0.221E+01
DAV: 6 -0.915529639649E+02 0.85630E+01 -0.30915E+01 696 0.299E+01 0.116E+01
DAV: 7 -0.907300600846E+02 0.82290E+00 -0.17244E+00 720 0.623E+00 0.482E+00
DAV: 8 -0.903527880314E+02 0.37727E+00 -0.55128E-01 712 0.428E+00 0.163E+00
DAV: 9 -0.902698519443E+02 0.82936E-01 -0.12945E-01 728 0.167E+00 0.433E-01
DAV: 10 -0.902629603023E+02 0.68916E-02 -0.45778E-02 704 0.122E+00 0.319E-01
DAV: 11 -0.902664322680E+02 -0.34720E-02 -0.79071E-03 624 0.591E-01 0.121E-01
DAV: 12 -0.902689845540E+02 -0.25523E-02 -0.61608E-03 616 0.437E-01 0.130E-01
DAV: 13 -0.902715388595E+02 -0.25543E-02 -0.20636E-03 861 0.324E-01 0.772E-02
DAV: 14 -0.902749810977E+02 -0.34422E-02 -0.12874E-03 644 0.160E-01 0.599E-02
DAV: 15 -0.902769444317E+02 -0.19633E-02 -0.32803E-04 776 0.113E-01 0.372E-02
DAV: 16 -0.902789762140E+02 -0.20318E-02 -0.65809E-04 658 0.146E-01 0.342E-02
DAV: 17 -0.902795676211E+02 -0.59141E-03 -0.95381E-05 744 0.639E-02 0.267E-02
DAV: 18 -0.902797738055E+02 -0.20618E-03 -0.73677E-05 656 0.459E-02 0.858E-03
DAV: 19 -0.902800889841E+02 -0.31518E-03 -0.46381E-05 577 0.354E-02 0.836E-03
DAV: 20 -0.902801137077E+02 -0.24724E-04 -0.71394E-06 520 0.177E-02 0.841E-03
DAV: 21 -0.902801303536E+02 -0.16646E-04 -0.36169E-06 432 0.147E-02 0.681E-03
DAV: 22 -0.902801465617E+02 -0.16208E-04 -0.43908E-06 456 0.177E-02 0.515E-03
DAV: 23 -0.902801477332E+02 -0.11715E-05 -0.29959E-06 536 0.944E-03
1 F= -.90280148E+02 E0= -.90286245E+02 d E =0.182921E-01