./iterations/neb0_image03_iter261_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 0.363606501914E+03 0.36361E+03 -0.14326E+04 632 0.799E+02
DAV: 2 0.624074680434E+00 -0.36298E+03 -0.35247E+03 853 0.195E+02
DAV: 3 -0.960935210361E+02 -0.96718E+02 -0.96419E+02 661 0.115E+02
DAV: 4 -0.100341691784E+03 -0.42482E+01 -0.42386E+01 712 0.280E+01
DAV: 5 -0.100423983295E+03 -0.82292E-01 -0.82265E-01 744 0.351E+00 0.223E+01
DAV: 6 -0.917331818861E+02 0.86908E+01 -0.31351E+01 680 0.300E+01 0.117E+01
DAV: 7 -0.908871832286E+02 0.84600E+00 -0.17956E+00 720 0.634E+00 0.485E+00
DAV: 8 -0.904934648044E+02 0.39372E+00 -0.55793E-01 696 0.428E+00 0.170E+00
DAV: 9 -0.904013196705E+02 0.92145E-01 -0.13383E-01 712 0.167E+00 0.437E-01
DAV: 10 -0.903948353108E+02 0.64844E-02 -0.48531E-02 712 0.122E+00 0.336E-01
DAV: 11 -0.903992550341E+02 -0.44197E-02 -0.82683E-03 624 0.638E-01 0.120E-01
DAV: 12 -0.904023619956E+02 -0.31070E-02 -0.53458E-03 632 0.343E-01 0.120E-01
DAV: 13 -0.904064840859E+02 -0.41221E-02 -0.16434E-03 837 0.293E-01 0.886E-02
DAV: 14 -0.904095772453E+02 -0.30932E-02 -0.11354E-03 664 0.149E-01 0.554E-02
DAV: 15 -0.904119150817E+02 -0.23378E-02 -0.40530E-04 658 0.104E-01 0.287E-02
DAV: 16 -0.904132706950E+02 -0.13556E-02 -0.30816E-04 672 0.892E-02 0.244E-02
DAV: 17 -0.904140055410E+02 -0.73485E-03 -0.13201E-04 789 0.681E-02 0.109E-02
DAV: 18 -0.904142235588E+02 -0.21802E-03 -0.44928E-05 688 0.357E-02 0.130E-02
DAV: 19 -0.904143168940E+02 -0.93335E-04 -0.13560E-05 477 0.259E-02 0.595E-03
DAV: 20 -0.904143870652E+02 -0.70171E-04 -0.27865E-05 573 0.280E-02 0.675E-03
DAV: 21 -0.904144230367E+02 -0.35972E-04 -0.93435E-06 477 0.238E-02 0.208E-03
DAV: 22 -0.904144348917E+02 -0.11855E-04 -0.41106E-06 488 0.992E-03 0.245E-03
DAV: 23 -0.904144396956E+02 -0.48039E-05 -0.83426E-07 434 0.593E-03
1 F= -.90414440E+02 E0= -.90422166E+02 d E =0.231780E-01