iterations/neb0_image09_iter39_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 0.374864923699E+03 0.37486E+03 -0.14285E+04 624 0.799E+02
DAV: 2 0.252774555705E+01 -0.37234E+03 -0.35990E+03 877 0.196E+02
DAV: 3 -0.969822496487E+02 -0.99510E+02 -0.99180E+02 680 0.117E+02
DAV: 4 -0.101275468149E+03 -0.42932E+01 -0.42844E+01 688 0.276E+01
DAV: 5 -0.101359020451E+03 -0.83552E-01 -0.83513E-01 736 0.349E+00 0.227E+01
DAV: 6 -0.926692587640E+02 0.86898E+01 -0.30900E+01 709 0.300E+01 0.119E+01
DAV: 7 -0.917849697868E+02 0.88429E+00 -0.17166E+00 728 0.614E+00 0.479E+00
DAV: 8 -0.914051755497E+02 0.37979E+00 -0.53904E-01 712 0.394E+00 0.164E+00
DAV: 9 -0.913222889946E+02 0.82887E-01 -0.13430E-01 701 0.157E+00 0.428E-01
DAV: 10 -0.913135224747E+02 0.87665E-02 -0.46164E-02 776 0.114E+00 0.304E-01
DAV: 11 -0.913179449438E+02 -0.44225E-02 -0.13908E-02 613 0.622E-01 0.148E-01
DAV: 12 -0.913207031530E+02 -0.27582E-02 -0.26880E-03 623 0.239E-01 0.115E-01
DAV: 13 -0.913246892535E+02 -0.39861E-02 -0.22489E-03 650 0.246E-01 0.475E-02
DAV: 14 -0.913277907974E+02 -0.31015E-02 -0.59090E-04 672 0.155E-01 0.275E-02
DAV: 15 -0.913296122332E+02 -0.18214E-02 -0.22620E-04 664 0.756E-02 0.279E-02
DAV: 16 -0.913307030369E+02 -0.10908E-02 -0.19414E-04 680 0.800E-02 0.120E-02
DAV: 17 -0.913312596879E+02 -0.55665E-03 -0.50867E-05 642 0.334E-02 0.136E-02
DAV: 18 -0.913314362071E+02 -0.17652E-03 -0.26672E-05 560 0.330E-02 0.750E-03
DAV: 19 -0.913315601953E+02 -0.12399E-03 -0.18641E-05 434 0.223E-02 0.460E-03
DAV: 20 -0.913315740221E+02 -0.13827E-04 -0.37721E-06 520 0.101E-02 0.337E-03
DAV: 21 -0.913315884575E+02 -0.14435E-04 -0.42111E-06 407 0.142E-02 0.190E-03
DAV: 22 -0.913316016747E+02 -0.13217E-04 -0.26675E-06 417 0.726E-03 0.272E-03
DAV: 23 -0.913316026489E+02 -0.97418E-06 -0.43618E-07 512 0.515E-03
1 F= -.91331603E+02 E0= -.91336194E+02 d E =0.137736E-01