iterations/neb0_image07_iter246_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 0.372146639148E+03 0.37215E+03 -0.14329E+04 632 0.799E+02
DAV: 2 0.391326364033E+01 -0.36823E+03 -0.35641E+03 866 0.194E+02
DAV: 3 -0.965888045002E+02 -0.10050E+03 -0.10016E+03 685 0.116E+02
DAV: 4 -0.101189436384E+03 -0.46006E+01 -0.45892E+01 688 0.284E+01
DAV: 5 -0.101280735079E+03 -0.91299E-01 -0.91241E-01 736 0.361E+00 0.228E+01
DAV: 6 -0.926134765388E+02 0.86673E+01 -0.30765E+01 717 0.299E+01 0.119E+01
DAV: 7 -0.917489467931E+02 0.86453E+00 -0.17361E+00 736 0.618E+00 0.481E+00
DAV: 8 -0.913729541575E+02 0.37599E+00 -0.54128E-01 736 0.396E+00 0.162E+00
DAV: 9 -0.912913610959E+02 0.81593E-01 -0.13110E-01 720 0.155E+00 0.421E-01
DAV: 10 -0.912822975405E+02 0.90636E-02 -0.40988E-02 749 0.104E+00 0.291E-01
DAV: 11 -0.912867326599E+02 -0.44351E-02 -0.12495E-02 608 0.582E-01 0.148E-01
DAV: 12 -0.912897543503E+02 -0.30217E-02 -0.27668E-03 615 0.268E-01 0.860E-02
DAV: 13 -0.912934444096E+02 -0.36901E-02 -0.14269E-03 642 0.179E-01 0.528E-02
DAV: 14 -0.912967955675E+02 -0.33512E-02 -0.10501E-03 722 0.244E-01 0.529E-02
DAV: 15 -0.912982054858E+02 -0.14099E-02 -0.43401E-04 672 0.119E-01 0.391E-02
DAV: 16 -0.912990520843E+02 -0.84660E-03 -0.18433E-04 744 0.814E-02 0.153E-02
DAV: 17 -0.912999907163E+02 -0.93863E-03 -0.19012E-04 717 0.763E-02 0.193E-02
DAV: 18 -0.913002268122E+02 -0.23610E-03 -0.38178E-05 624 0.432E-02 0.824E-03
DAV: 19 -0.913003286408E+02 -0.10183E-03 -0.21954E-05 600 0.212E-02 0.276E-03
DAV: 20 -0.913003716341E+02 -0.42993E-04 -0.31882E-06 480 0.688E-03 0.182E-03
DAV: 21 -0.913003933736E+02 -0.21739E-04 -0.20086E-06 448 0.473E-03 0.148E-03
DAV: 22 -0.913004002447E+02 -0.68711E-05 -0.91028E-07 480 0.419E-03
1 F= -.91300400E+02 E0= -.91305749E+02 d E =0.160465E-01