iterations/neb0_image04_iter221_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 0.369095078438E+03 0.36910E+03 -0.14294E+04 624 0.799E+02
DAV: 2 0.176471048209E+01 -0.36733E+03 -0.35579E+03 869 0.195E+02
DAV: 3 -0.960600459709E+02 -0.97825E+02 -0.97533E+02 661 0.116E+02
DAV: 4 -0.100331771135E+03 -0.42717E+01 -0.42629E+01 704 0.279E+01
DAV: 5 -0.100414702568E+03 -0.82931E-01 -0.82899E-01 736 0.348E+00 0.224E+01
DAV: 6 -0.916822104751E+02 0.87325E+01 -0.31152E+01 690 0.299E+01 0.117E+01
DAV: 7 -0.908124695705E+02 0.86974E+00 -0.17873E+00 704 0.645E+00 0.484E+00
DAV: 8 -0.904002989582E+02 0.41217E+00 -0.55098E-01 704 0.448E+00 0.175E+00
DAV: 9 -0.903092961785E+02 0.91003E-01 -0.14348E-01 720 0.208E+00 0.557E-01
DAV: 10 -0.902951818982E+02 0.14114E-01 -0.37226E-02 696 0.100E+00 0.353E-01
DAV: 11 -0.902970286818E+02 -0.18468E-02 -0.12195E-02 717 0.618E-01 0.259E-01
DAV: 12 -0.902993104869E+02 -0.22818E-02 -0.33353E-03 677 0.551E-01 0.140E-01
DAV: 13 -0.903026676374E+02 -0.33572E-02 -0.26923E-03 631 0.342E-01 0.993E-02
DAV: 14 -0.903069481642E+02 -0.42805E-02 -0.20874E-03 609 0.247E-01 0.529E-02
DAV: 15 -0.903089468551E+02 -0.19987E-02 -0.41506E-04 680 0.995E-02 0.487E-02
DAV: 16 -0.903114763361E+02 -0.25295E-02 -0.73818E-04 786 0.189E-01 0.351E-02
DAV: 17 -0.903123501285E+02 -0.87379E-03 -0.14862E-04 680 0.681E-02 0.333E-02
DAV: 18 -0.903129736828E+02 -0.62355E-03 -0.14524E-04 719 0.688E-02 0.200E-02
DAV: 19 -0.903132145085E+02 -0.24083E-03 -0.45214E-05 672 0.443E-02 0.831E-03
DAV: 20 -0.903134035132E+02 -0.18900E-03 -0.24436E-05 505 0.250E-02 0.589E-03
DAV: 21 -0.903134913139E+02 -0.87801E-04 -0.78074E-06 469 0.121E-02 0.551E-03
DAV: 22 -0.903135305223E+02 -0.39208E-04 -0.81491E-06 434 0.159E-02 0.145E-03
DAV: 23 -0.903135377124E+02 -0.71901E-05 -0.22582E-06 498 0.734E-03
1 F= -.90313538E+02 E0= -.90321890E+02 d E =0.250562E-01