iterations/neb0_image06_iter121_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 0.375723302991E+03 0.37572E+03 -0.14311E+04 632 0.799E+02
DAV: 2 0.378076766487E+01 -0.37194E+03 -0.35998E+03 882 0.195E+02
DAV: 3 -0.955265636285E+02 -0.99307E+02 -0.98980E+02 640 0.117E+02
DAV: 4 -0.100309776236E+03 -0.47832E+01 -0.47711E+01 696 0.298E+01
DAV: 5 -0.100408304342E+03 -0.98528E-01 -0.98480E-01 736 0.382E+00 0.226E+01
DAV: 6 -0.918146211611E+02 0.85937E+01 -0.30771E+01 698 0.305E+01 0.118E+01
DAV: 7 -0.909989364580E+02 0.81568E+00 -0.17541E+00 720 0.632E+00 0.480E+00
DAV: 8 -0.906216235814E+02 0.37731E+00 -0.49473E-01 728 0.398E+00 0.169E+00
DAV: 9 -0.905292801608E+02 0.92343E-01 -0.13909E-01 717 0.173E+00 0.419E-01
DAV: 10 -0.905204177135E+02 0.88624E-02 -0.38591E-02 800 0.104E+00 0.295E-01
DAV: 11 -0.905247621587E+02 -0.43444E-02 -0.14246E-02 602 0.713E-01 0.176E-01
DAV: 12 -0.905258928348E+02 -0.11307E-02 -0.21933E-03 690 0.301E-01 0.119E-01
DAV: 13 -0.905310884457E+02 -0.51956E-02 -0.55059E-03 697 0.499E-01 0.988E-02
DAV: 14 -0.905321127500E+02 -0.10243E-02 -0.82770E-04 776 0.192E-01 0.770E-02
DAV: 15 -0.905343394700E+02 -0.22267E-02 -0.93416E-04 626 0.181E-01 0.278E-02
DAV: 16 -0.905367768238E+02 -0.24374E-02 -0.42126E-04 658 0.109E-01 0.356E-02
DAV: 17 -0.905378873900E+02 -0.11106E-02 -0.80327E-05 645 0.641E-02 0.242E-02
DAV: 18 -0.905383934998E+02 -0.50611E-03 -0.25100E-04 677 0.103E-01 0.151E-02
DAV: 19 -0.905385560792E+02 -0.16258E-03 -0.38573E-05 648 0.459E-02 0.804E-03
DAV: 20 -0.905386716740E+02 -0.11559E-03 -0.34885E-05 559 0.295E-02 0.807E-03
DAV: 21 -0.905387039549E+02 -0.32281E-04 -0.26764E-06 461 0.130E-02 0.848E-03
DAV: 22 -0.905387125157E+02 -0.85608E-05 -0.27971E-06 434 0.122E-02
1 F= -.90538713E+02 E0= -.90546434E+02 d E =0.231653E-01