iterations/neb0_image06_iter63_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 0.375656560854E+03 0.37566E+03 -0.14311E+04 632 0.799E+02
DAV: 2 0.420739556820E+01 -0.37145E+03 -0.35914E+03 869 0.195E+02
DAV: 3 -0.955166294084E+02 -0.99724E+02 -0.99397E+02 656 0.117E+02
DAV: 4 -0.100075316457E+03 -0.45587E+01 -0.45474E+01 704 0.290E+01
DAV: 5 -0.100168681124E+03 -0.93365E-01 -0.93328E-01 736 0.370E+00 0.226E+01
DAV: 6 -0.915548499643E+02 0.86138E+01 -0.30734E+01 669 0.305E+01 0.118E+01
DAV: 7 -0.907102669486E+02 0.84458E+00 -0.16903E+00 728 0.625E+00 0.481E+00
DAV: 8 -0.903254825851E+02 0.38478E+00 -0.53137E-01 696 0.405E+00 0.165E+00
DAV: 9 -0.902349807114E+02 0.90502E-01 -0.13110E-01 720 0.172E+00 0.436E-01
DAV: 10 -0.902254847769E+02 0.94959E-02 -0.32695E-02 760 0.935E-01 0.294E-01
DAV: 11 -0.902290010389E+02 -0.35163E-02 -0.12211E-02 680 0.746E-01 0.176E-01
DAV: 12 -0.902300494452E+02 -0.10484E-02 -0.30439E-03 664 0.399E-01 0.111E-01
DAV: 13 -0.902345935686E+02 -0.45441E-02 -0.38944E-03 616 0.320E-01 0.121E-01
DAV: 14 -0.902369929667E+02 -0.23994E-02 -0.11751E-03 712 0.172E-01 0.476E-02
DAV: 15 -0.902402529614E+02 -0.32600E-02 -0.76505E-04 754 0.161E-01 0.376E-02
DAV: 16 -0.902418982053E+02 -0.16452E-02 -0.17218E-04 680 0.749E-02 0.230E-02
DAV: 17 -0.902427653863E+02 -0.86718E-03 -0.11309E-04 736 0.603E-02 0.166E-02
DAV: 18 -0.902434609761E+02 -0.69559E-03 -0.94013E-05 650 0.452E-02 0.128E-02
DAV: 19 -0.902435875178E+02 -0.12654E-03 -0.11670E-05 520 0.272E-02 0.786E-03
DAV: 20 -0.902437070739E+02 -0.11956E-03 -0.31579E-05 478 0.301E-02 0.565E-03
DAV: 21 -0.902437354532E+02 -0.28379E-04 -0.38335E-06 496 0.155E-02 0.281E-03
DAV: 22 -0.902437563341E+02 -0.20881E-04 -0.60207E-06 406 0.143E-02 0.249E-03
DAV: 23 -0.902437662721E+02 -0.99380E-05 -0.13917E-06 469 0.682E-03
1 F= -.90243766E+02 E0= -.90253403E+02 d E =0.289106E-01