iterations/neb0_image09_iter177_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 0.374007196034E+03 0.37401E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.322066733089E+01 -0.37079E+03 -0.35804E+03 869 0.196E+02
DAV: 3 -0.967201724033E+02 -0.99941E+02 -0.99609E+02 661 0.117E+02
DAV: 4 -0.101254015483E+03 -0.45338E+01 -0.45233E+01 720 0.287E+01
DAV: 5 -0.101342951676E+03 -0.88936E-01 -0.88896E-01 728 0.365E+00 0.227E+01
DAV: 6 -0.926798713668E+02 0.86631E+01 -0.30949E+01 717 0.301E+01 0.119E+01
DAV: 7 -0.918098383761E+02 0.87003E+00 -0.17148E+00 728 0.614E+00 0.480E+00
DAV: 8 -0.914334424639E+02 0.37640E+00 -0.54667E-01 712 0.396E+00 0.163E+00
DAV: 9 -0.913520023920E+02 0.81440E-01 -0.13083E-01 712 0.155E+00 0.424E-01
DAV: 10 -0.913436072864E+02 0.83951E-02 -0.43836E-02 760 0.110E+00 0.298E-01
DAV: 11 -0.913479638813E+02 -0.43566E-02 -0.11661E-02 616 0.560E-01 0.133E-01
DAV: 12 -0.913512097241E+02 -0.32458E-02 -0.28965E-03 634 0.246E-01 0.111E-01
DAV: 13 -0.913546896588E+02 -0.34799E-02 -0.12507E-03 701 0.197E-01 0.425E-02
DAV: 14 -0.913577832800E+02 -0.30936E-02 -0.61945E-04 664 0.133E-01 0.366E-02
DAV: 15 -0.913594144844E+02 -0.16312E-02 -0.15462E-04 704 0.802E-02 0.327E-02
DAV: 16 -0.913608290764E+02 -0.14146E-02 -0.31558E-04 656 0.852E-02 0.175E-02
DAV: 17 -0.913612501876E+02 -0.42111E-03 -0.76543E-05 752 0.601E-02 0.125E-02
DAV: 18 -0.913614720741E+02 -0.22189E-03 -0.35178E-05 632 0.255E-02 0.102E-02
DAV: 19 -0.913615221128E+02 -0.50039E-04 -0.82554E-06 504 0.168E-02 0.486E-03
DAV: 20 -0.913615542797E+02 -0.32167E-04 -0.10217E-05 421 0.203E-02 0.268E-03
DAV: 21 -0.913615695603E+02 -0.15281E-04 -0.26881E-06 461 0.872E-03 0.252E-03
DAV: 22 -0.913615749696E+02 -0.54093E-05 -0.12982E-06 448 0.732E-03
1 F= -.91361575E+02 E0= -.91366378E+02 d E =0.144084E-01