iterations/neb0_image05_iter75_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 0.373261349224E+03 0.37326E+03 -0.14308E+04 632 0.799E+02
DAV: 2 0.392824561459E+01 -0.36933E+03 -0.35740E+03 877 0.195E+02
DAV: 3 -0.939108834031E+02 -0.97839E+02 -0.97484E+02 637 0.116E+02
DAV: 4 -0.985789424703E+02 -0.46681E+01 -0.46561E+01 696 0.297E+01
DAV: 5 -0.986807406485E+02 -0.10180E+00 -0.10175E+00 736 0.390E+00 0.218E+01
DAV: 6 -0.904294716401E+02 0.82513E+01 -0.28746E+01 677 0.288E+01 0.112E+01
DAV: 7 -0.895898343072E+02 0.83964E+00 -0.17762E+00 728 0.660E+00 0.467E+00
DAV: 8 -0.892097408075E+02 0.38009E+00 -0.59392E-01 704 0.433E+00 0.155E+00
DAV: 9 -0.891272402668E+02 0.82501E-01 -0.12389E-01 720 0.159E+00 0.432E-01
DAV: 10 -0.891165257918E+02 0.10714E-01 -0.48768E-02 717 0.117E+00 0.332E-01
DAV: 11 -0.891188320163E+02 -0.23062E-02 -0.10186E-02 629 0.582E-01 0.116E-01
DAV: 12 -0.891210654859E+02 -0.22335E-02 -0.33426E-03 644 0.292E-01 0.119E-01
DAV: 13 -0.891264127931E+02 -0.53473E-02 -0.19427E-03 839 0.306E-01 0.670E-02
DAV: 14 -0.891287045911E+02 -0.22918E-02 -0.68146E-04 661 0.124E-01 0.471E-02
DAV: 15 -0.891316127981E+02 -0.29082E-02 -0.73527E-04 722 0.156E-01 0.318E-02
DAV: 16 -0.891326246039E+02 -0.10118E-02 -0.98450E-05 704 0.607E-02 0.213E-02
DAV: 17 -0.891336955179E+02 -0.10709E-02 -0.18265E-04 660 0.668E-02 0.993E-03
DAV: 18 -0.891340848323E+02 -0.38931E-03 -0.36022E-05 629 0.326E-02 0.592E-03
DAV: 19 -0.891342001078E+02 -0.11528E-03 -0.11070E-05 456 0.177E-02 0.344E-03
DAV: 20 -0.891342878219E+02 -0.87714E-04 -0.14890E-05 480 0.188E-02 0.371E-03
DAV: 21 -0.891343020542E+02 -0.14232E-04 -0.20012E-06 485 0.807E-03 0.297E-03
DAV: 22 -0.891343076363E+02 -0.55822E-05 -0.26132E-06 440 0.105E-02
1 F= -.89134308E+02 E0= -.89138236E+02 d E =0.117839E-01