./iterations/neb0_image03_iter73_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 0.367787520918E+03 0.36779E+03 -0.14323E+04 632 0.799E+02
DAV: 2 0.301409981490E+01 -0.36477E+03 -0.35216E+03 853 0.195E+02
DAV: 3 -0.955892785150E+02 -0.98603E+02 -0.98285E+02 664 0.116E+02
DAV: 4 -0.100132298961E+03 -0.45430E+01 -0.45335E+01 720 0.287E+01
DAV: 5 -0.100220626803E+03 -0.88328E-01 -0.88292E-01 736 0.360E+00 0.223E+01
DAV: 6 -0.916147268986E+02 0.86059E+01 -0.30702E+01 696 0.297E+01 0.116E+01
DAV: 7 -0.907667477768E+02 0.84798E+00 -0.18482E+00 696 0.639E+00 0.482E+00
DAV: 8 -0.903635896108E+02 0.40316E+00 -0.56562E-01 696 0.432E+00 0.166E+00
DAV: 9 -0.902678800720E+02 0.95710E-01 -0.14027E-01 704 0.174E+00 0.440E-01
DAV: 10 -0.902599580043E+02 0.79221E-02 -0.46866E-02 717 0.118E+00 0.334E-01
DAV: 11 -0.902633296727E+02 -0.33717E-02 -0.67237E-03 613 0.540E-01 0.118E-01
DAV: 12 -0.902662230656E+02 -0.28934E-02 -0.56121E-03 623 0.336E-01 0.126E-01
DAV: 13 -0.902703447927E+02 -0.41217E-02 -0.23257E-03 840 0.405E-01 0.905E-02
DAV: 14 -0.902732464626E+02 -0.29017E-02 -0.10526E-03 650 0.156E-01 0.705E-02
DAV: 15 -0.902755027895E+02 -0.22563E-02 -0.62915E-04 672 0.151E-01 0.278E-02
DAV: 16 -0.902775252863E+02 -0.20225E-02 -0.40178E-04 663 0.110E-01 0.291E-02
DAV: 17 -0.902782446384E+02 -0.71935E-03 -0.79184E-05 685 0.478E-02 0.227E-02
DAV: 18 -0.902785777011E+02 -0.33306E-03 -0.10042E-04 648 0.592E-02 0.824E-03
DAV: 19 -0.902786768444E+02 -0.99143E-04 -0.12594E-05 488 0.230E-02 0.600E-03
DAV: 20 -0.902787559111E+02 -0.79067E-04 -0.12732E-05 431 0.213E-02 0.454E-03
DAV: 21 -0.902788025126E+02 -0.46602E-04 -0.65401E-06 456 0.132E-02 0.260E-03
DAV: 22 -0.902788135891E+02 -0.11076E-04 -0.34182E-06 496 0.109E-02 0.143E-03
DAV: 23 -0.902788164423E+02 -0.28532E-05 -0.91385E-07 469 0.548E-03
1 F= -.90278816E+02 E0= -.90287192E+02 d E =0.251281E-01