iterations/neb0_image05_iter76_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 0.373251227764E+03 0.37325E+03 -0.14308E+04 632 0.799E+02
DAV: 2 0.392211370427E+01 -0.36933E+03 -0.35738E+03 877 0.195E+02
DAV: 3 -0.939203150732E+02 -0.97842E+02 -0.97488E+02 637 0.116E+02
DAV: 4 -0.985870035311E+02 -0.46667E+01 -0.46547E+01 696 0.297E+01
DAV: 5 -0.986888420471E+02 -0.10184E+00 -0.10179E+00 736 0.390E+00 0.218E+01
DAV: 6 -0.904361897538E+02 0.82527E+01 -0.28738E+01 685 0.288E+01 0.112E+01
DAV: 7 -0.895951861148E+02 0.84100E+00 -0.17824E+00 720 0.662E+00 0.467E+00
DAV: 8 -0.892146248408E+02 0.38056E+00 -0.59631E-01 704 0.435E+00 0.155E+00
DAV: 9 -0.891319924842E+02 0.82632E-01 -0.12392E-01 720 0.160E+00 0.433E-01
DAV: 10 -0.891212281816E+02 0.10764E-01 -0.48697E-02 717 0.118E+00 0.333E-01
DAV: 11 -0.891234610238E+02 -0.22328E-02 -0.10067E-02 629 0.577E-01 0.116E-01
DAV: 12 -0.891257077179E+02 -0.22467E-02 -0.33496E-03 652 0.294E-01 0.118E-01
DAV: 13 -0.891310298986E+02 -0.53222E-02 -0.18420E-03 831 0.299E-01 0.665E-02
DAV: 14 -0.891333798841E+02 -0.23500E-02 -0.69777E-04 671 0.124E-01 0.461E-02
DAV: 15 -0.891363433122E+02 -0.29634E-02 -0.72263E-04 714 0.154E-01 0.318E-02
DAV: 16 -0.891373265715E+02 -0.98326E-03 -0.96502E-05 728 0.597E-02 0.215E-02
DAV: 17 -0.891383687548E+02 -0.10422E-02 -0.18019E-04 652 0.681E-02 0.100E-02
DAV: 18 -0.891387664932E+02 -0.39774E-03 -0.37612E-05 621 0.348E-02 0.597E-03
DAV: 19 -0.891388840479E+02 -0.11755E-03 -0.11872E-05 464 0.185E-02 0.369E-03
DAV: 20 -0.891389710995E+02 -0.87052E-04 -0.14950E-05 480 0.192E-02 0.360E-03
DAV: 21 -0.891389862788E+02 -0.15179E-04 -0.20674E-06 485 0.821E-03 0.295E-03
DAV: 22 -0.891389924118E+02 -0.61330E-05 -0.28189E-06 437 0.113E-02
1 F= -.89138992E+02 E0= -.89142942E+02 d E =0.118473E-01