iterations/neb0_image01_iter193_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 0.365746795771E+03 0.36575E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.321517872878E+01 -0.36253E+03 -0.34957E+03 839 0.196E+02
DAV: 3 -0.955981572722E+02 -0.98813E+02 -0.98466E+02 669 0.116E+02
DAV: 4 -0.100231620175E+03 -0.46335E+01 -0.46224E+01 688 0.287E+01
DAV: 5 -0.100324760273E+03 -0.93140E-01 -0.93089E-01 736 0.363E+00 0.222E+01
DAV: 6 -0.916908506769E+02 0.86339E+01 -0.30974E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908845673799E+02 0.80628E+00 -0.18279E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905089169817E+02 0.37565E+00 -0.55401E-01 704 0.430E+00 0.167E+00
DAV: 9 -0.904268111783E+02 0.82106E-01 -0.13258E-01 720 0.166E+00 0.423E-01
DAV: 10 -0.904222524485E+02 0.45587E-02 -0.46934E-02 720 0.124E+00 0.321E-01
DAV: 11 -0.904263657362E+02 -0.41133E-02 -0.78274E-03 608 0.567E-01 0.120E-01
DAV: 12 -0.904297360300E+02 -0.33703E-02 -0.64541E-03 626 0.447E-01 0.132E-01
DAV: 13 -0.904321574036E+02 -0.24214E-02 -0.16257E-03 861 0.309E-01 0.745E-02
DAV: 14 -0.904353428635E+02 -0.31855E-02 -0.14596E-03 634 0.192E-01 0.684E-02
DAV: 15 -0.904369313324E+02 -0.15885E-02 -0.29592E-04 696 0.112E-01 0.545E-02
DAV: 16 -0.904383231569E+02 -0.13918E-02 -0.11054E-03 661 0.205E-01 0.392E-02
DAV: 17 -0.904391249813E+02 -0.80182E-03 -0.14444E-04 664 0.827E-02 0.338E-02
DAV: 18 -0.904394374525E+02 -0.31247E-03 -0.82664E-05 680 0.455E-02 0.188E-02
DAV: 19 -0.904396221987E+02 -0.18475E-03 -0.96113E-05 634 0.551E-02 0.935E-03
DAV: 20 -0.904396511180E+02 -0.28919E-04 -0.94737E-06 512 0.208E-02 0.992E-03
DAV: 21 -0.904396884164E+02 -0.37298E-04 -0.73279E-06 404 0.152E-02 0.742E-03
DAV: 22 -0.904397008270E+02 -0.12411E-04 -0.52955E-06 480 0.185E-02 0.306E-03
DAV: 23 -0.904397041831E+02 -0.33561E-05 -0.68022E-06 496 0.149E-02
1 F= -.90439704E+02 E0= -.90445219E+02 d E =0.165457E-01