./iterations/neb0_image02_iter189_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 0.366790635341E+03 0.36679E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.259838918019E+01 -0.36419E+03 -0.35226E+03 853 0.195E+02
DAV: 3 -0.957417911986E+02 -0.98340E+02 -0.98012E+02 664 0.116E+02
DAV: 4 -0.100236884213E+03 -0.44951E+01 -0.44846E+01 720 0.284E+01
DAV: 5 -0.100324072512E+03 -0.87188E-01 -0.87152E-01 736 0.356E+00 0.222E+01
DAV: 6 -0.916728209148E+02 0.86513E+01 -0.31040E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.908592785573E+02 0.81354E+00 -0.18405E+00 720 0.637E+00 0.484E+00
DAV: 8 -0.904787040129E+02 0.38057E+00 -0.55128E-01 696 0.430E+00 0.170E+00
DAV: 9 -0.903916375534E+02 0.87066E-01 -0.13702E-01 720 0.168E+00 0.429E-01
DAV: 10 -0.903862079410E+02 0.54296E-02 -0.50158E-02 704 0.128E+00 0.331E-01
DAV: 11 -0.903898469162E+02 -0.36390E-02 -0.80223E-03 616 0.588E-01 0.124E-01
DAV: 12 -0.903929520208E+02 -0.31051E-02 -0.72162E-03 648 0.436E-01 0.139E-01
DAV: 13 -0.903954028652E+02 -0.24508E-02 -0.19927E-03 856 0.350E-01 0.822E-02
DAV: 14 -0.903986425011E+02 -0.32396E-02 -0.14814E-03 623 0.182E-01 0.720E-02
DAV: 15 -0.904004785206E+02 -0.18360E-02 -0.31479E-04 696 0.104E-01 0.556E-02
DAV: 16 -0.904019841358E+02 -0.15056E-02 -0.11327E-03 672 0.199E-01 0.409E-02
DAV: 17 -0.904026990741E+02 -0.71494E-03 -0.15598E-04 712 0.863E-02 0.291E-02
DAV: 18 -0.904030149462E+02 -0.31587E-03 -0.89372E-05 664 0.452E-02 0.119E-02
DAV: 19 -0.904031933242E+02 -0.17838E-03 -0.53853E-05 658 0.384E-02 0.784E-03
DAV: 20 -0.904032209115E+02 -0.27587E-04 -0.49578E-06 520 0.158E-02 0.636E-03
DAV: 21 -0.904032727390E+02 -0.51827E-04 -0.10917E-05 417 0.175E-02 0.365E-03
DAV: 22 -0.904032805931E+02 -0.78541E-05 -0.47033E-06 488 0.130E-02
1 F= -.90403281E+02 E0= -.90409803E+02 d E =0.195680E-01