iterations/neb0_image02_iter156_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 0.364125368857E+03 0.36413E+03 -0.14331E+04 632 0.799E+02
DAV: 2 0.189492508455E+01 -0.36223E+03 -0.35002E+03 853 0.195E+02
DAV: 3 -0.956217035451E+02 -0.97517E+02 -0.97179E+02 648 0.116E+02
DAV: 4 -0.100227548588E+03 -0.46058E+01 -0.45953E+01 720 0.291E+01
DAV: 5 -0.100318746080E+03 -0.91197E-01 -0.91167E-01 752 0.367E+00 0.222E+01
DAV: 6 -0.916780946118E+02 0.86407E+01 -0.30906E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908596293349E+02 0.81847E+00 -0.18483E+00 704 0.637E+00 0.484E+00
DAV: 8 -0.904789670370E+02 0.38066E+00 -0.55675E-01 696 0.431E+00 0.169E+00
DAV: 9 -0.903921791495E+02 0.86788E-01 -0.13766E-01 712 0.167E+00 0.431E-01
DAV: 10 -0.903865554540E+02 0.56237E-02 -0.49230E-02 704 0.129E+00 0.329E-01
DAV: 11 -0.903899040244E+02 -0.33486E-02 -0.71608E-03 616 0.536E-01 0.139E-01
DAV: 12 -0.903932054505E+02 -0.33014E-02 -0.78563E-03 640 0.473E-01 0.138E-01
DAV: 13 -0.903958233399E+02 -0.26179E-02 -0.20706E-03 896 0.365E-01 0.831E-02
DAV: 14 -0.903988809783E+02 -0.30576E-02 -0.13607E-03 642 0.171E-01 0.673E-02
DAV: 15 -0.904009248022E+02 -0.20438E-02 -0.38479E-04 669 0.109E-01 0.503E-02
DAV: 16 -0.904024276647E+02 -0.15029E-02 -0.92276E-04 664 0.175E-01 0.375E-02
DAV: 17 -0.904032074291E+02 -0.77976E-03 -0.15548E-04 760 0.845E-02 0.240E-02
DAV: 18 -0.904034880541E+02 -0.28063E-03 -0.82486E-05 672 0.428E-02 0.863E-03
DAV: 19 -0.904036341836E+02 -0.14613E-03 -0.34749E-05 589 0.295E-02 0.718E-03
DAV: 20 -0.904036530212E+02 -0.18838E-04 -0.30262E-06 520 0.129E-02 0.550E-03
DAV: 21 -0.904037033108E+02 -0.50290E-04 -0.10327E-05 412 0.168E-02 0.329E-03
DAV: 22 -0.904037093378E+02 -0.60270E-05 -0.31053E-06 488 0.105E-02
1 F= -.90403709E+02 E0= -.90410229E+02 d E =0.195597E-01