iterations/neb0_image02_iter242_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 0.365782626688E+03 0.36578E+03 -0.14293E+04 624 0.799E+02
DAV: 2 0.248988846088E+00 -0.36553E+03 -0.35500E+03 877 0.195E+02
DAV: 3 -0.956644786339E+02 -0.95913E+02 -0.95585E+02 629 0.115E+02
DAV: 4 -0.100208782095E+03 -0.45443E+01 -0.45338E+01 712 0.294E+01
DAV: 5 -0.100299290664E+03 -0.90509E-01 -0.90480E-01 744 0.372E+00 0.222E+01
DAV: 6 -0.916670008203E+02 0.86323E+01 -0.30983E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.908523669140E+02 0.81463E+00 -0.18042E+00 712 0.636E+00 0.484E+00
DAV: 8 -0.904722257450E+02 0.38014E+00 -0.55799E-01 696 0.432E+00 0.169E+00
DAV: 9 -0.903874729623E+02 0.84753E-01 -0.13424E-01 720 0.166E+00 0.428E-01
DAV: 10 -0.903827789181E+02 0.46940E-02 -0.48517E-02 712 0.125E+00 0.329E-01
DAV: 11 -0.903864396793E+02 -0.36608E-02 -0.74990E-03 624 0.592E-01 0.119E-01
DAV: 12 -0.903894569298E+02 -0.30173E-02 -0.64852E-03 632 0.411E-01 0.132E-01
DAV: 13 -0.903921579967E+02 -0.27011E-02 -0.18171E-03 861 0.327E-01 0.815E-02
DAV: 14 -0.903952042957E+02 -0.30463E-02 -0.12655E-03 623 0.166E-01 0.678E-02
DAV: 15 -0.903970661445E+02 -0.18618E-02 -0.32933E-04 680 0.106E-01 0.495E-02
DAV: 16 -0.903984884716E+02 -0.14223E-02 -0.92072E-04 672 0.176E-01 0.385E-02
DAV: 17 -0.903990669824E+02 -0.57851E-03 -0.13200E-04 768 0.817E-02 0.239E-02
DAV: 18 -0.903993352519E+02 -0.26827E-03 -0.79712E-05 669 0.451E-02 0.697E-03
DAV: 19 -0.903995563280E+02 -0.22108E-03 -0.30728E-05 569 0.251E-02 0.526E-03
DAV: 20 -0.903995980577E+02 -0.41730E-04 -0.31280E-06 504 0.112E-02 0.477E-03
DAV: 21 -0.903996509679E+02 -0.52910E-04 -0.11247E-05 417 0.175E-02 0.314E-03
DAV: 22 -0.903996557805E+02 -0.48126E-05 -0.30583E-06 504 0.102E-02
1 F= -.90399656E+02 E0= -.90406642E+02 d E =0.209580E-01