iterations/neb0_image05_iter259_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 0.368125948581E+03 0.36813E+03 -0.14308E+04 624 0.799E+02
DAV: 2 0.369167797747E+01 -0.36443E+03 -0.35041E+03 853 0.196E+02
DAV: 3 -0.956655362874E+02 -0.99357E+02 -0.99021E+02 672 0.116E+02
DAV: 4 -0.100200416373E+03 -0.45349E+01 -0.45245E+01 704 0.287E+01
DAV: 5 -0.100287434591E+03 -0.87018E-01 -0.86978E-01 736 0.358E+00 0.223E+01
DAV: 6 -0.916349952961E+02 0.86524E+01 -0.31135E+01 696 0.300E+01 0.117E+01
DAV: 7 -0.908043489720E+02 0.83065E+00 -0.17611E+00 720 0.623E+00 0.483E+00
DAV: 8 -0.904269187167E+02 0.37743E+00 -0.54444E-01 736 0.426E+00 0.166E+00
DAV: 9 -0.903414366893E+02 0.85482E-01 -0.12906E-01 720 0.168E+00 0.432E-01
DAV: 10 -0.903338014351E+02 0.76353E-02 -0.43248E-02 720 0.118E+00 0.323E-01
DAV: 11 -0.903359652157E+02 -0.21638E-02 -0.79753E-03 608 0.691E-01 0.139E-01
DAV: 12 -0.903379425893E+02 -0.19774E-02 -0.80477E-03 664 0.568E-01 0.163E-01
DAV: 13 -0.903391394446E+02 -0.11969E-02 -0.10190E-03 760 0.258E-01 0.101E-01
DAV: 14 -0.903436184073E+02 -0.44790E-02 -0.44855E-03 614 0.428E-01 0.129E-01
DAV: 15 -0.903453534078E+02 -0.17350E-02 -0.76446E-04 722 0.228E-01 0.821E-02
DAV: 16 -0.903473262875E+02 -0.19729E-02 -0.17260E-03 680 0.245E-01 0.331E-02
DAV: 17 -0.903486367509E+02 -0.13105E-02 -0.22119E-04 688 0.859E-02 0.331E-02
DAV: 18 -0.903492052320E+02 -0.56848E-03 -0.83591E-05 728 0.593E-02 0.150E-02
DAV: 19 -0.903498333043E+02 -0.62807E-03 -0.13057E-04 633 0.631E-02 0.139E-02
DAV: 20 -0.903499494017E+02 -0.11610E-03 -0.16388E-05 512 0.359E-02 0.812E-03
DAV: 21 -0.903500175495E+02 -0.68148E-04 -0.31194E-05 562 0.276E-02 0.740E-03
DAV: 22 -0.903500540063E+02 -0.36457E-04 -0.69616E-06 488 0.215E-02 0.272E-03
DAV: 23 -0.903500868071E+02 -0.32801E-04 -0.95176E-06 411 0.158E-02 0.317E-03
DAV: 24 -0.903500902351E+02 -0.34280E-05 -0.12726E-06 512 0.589E-03
1 F= -.90350090E+02 E0= -.90358592E+02 d E =0.255040E-01