./iterations/neb0_image08_iter132_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 0.374562422568E+03 0.37456E+03 -0.14277E+04 624 0.799E+02
DAV: 2 0.316700326803E+01 -0.37140E+03 -0.35865E+03 869 0.196E+02
DAV: 3 -0.967632324891E+02 -0.99930E+02 -0.99592E+02 677 0.117E+02
DAV: 4 -0.101162499495E+03 -0.43993E+01 -0.43889E+01 704 0.278E+01
DAV: 5 -0.101250005927E+03 -0.87506E-01 -0.87470E-01 736 0.352E+00 0.226E+01
DAV: 6 -0.926277625473E+02 0.86222E+01 -0.30816E+01 714 0.301E+01 0.118E+01
DAV: 7 -0.917662136232E+02 0.86155E+00 -0.17043E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.913888479890E+02 0.37737E+00 -0.55720E-01 704 0.402E+00 0.162E+00
DAV: 9 -0.913076389571E+02 0.81209E-01 -0.13041E-01 720 0.156E+00 0.423E-01
DAV: 10 -0.912989135010E+02 0.87255E-02 -0.45576E-02 736 0.111E+00 0.303E-01
DAV: 11 -0.913035945111E+02 -0.46810E-02 -0.13293E-02 605 0.597E-01 0.149E-01
DAV: 12 -0.913065709978E+02 -0.29765E-02 -0.29131E-03 620 0.258E-01 0.110E-01
DAV: 13 -0.913099498456E+02 -0.33788E-02 -0.13108E-03 669 0.197E-01 0.486E-02
DAV: 14 -0.913133703391E+02 -0.34205E-02 -0.85806E-04 648 0.183E-01 0.385E-02
DAV: 15 -0.913146849238E+02 -0.13146E-02 -0.24083E-04 672 0.100E-01 0.436E-02
DAV: 16 -0.913158321711E+02 -0.11472E-02 -0.34293E-04 648 0.102E-01 0.165E-02
DAV: 17 -0.913164208006E+02 -0.58863E-03 -0.78319E-05 664 0.533E-02 0.164E-02
DAV: 18 -0.913167071987E+02 -0.28640E-03 -0.45673E-05 568 0.349E-02 0.116E-02
DAV: 19 -0.913168178388E+02 -0.11064E-03 -0.17889E-05 472 0.221E-02 0.539E-03
DAV: 20 -0.913168511451E+02 -0.33306E-04 -0.63519E-06 464 0.142E-02 0.243E-03
DAV: 21 -0.913168747194E+02 -0.23574E-04 -0.37538E-06 423 0.994E-03 0.150E-03
DAV: 22 -0.913168846543E+02 -0.99349E-05 -0.17485E-06 450 0.556E-03
1 F= -.91316885E+02 E0= -.91321864E+02 d E =0.149386E-01