iterations/neb0_image04_iter201_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 0.365685997179E+03 0.36569E+03 -0.14325E+04 632 0.799E+02
DAV: 2 0.187269307604E+01 -0.36381E+03 -0.35111E+03 861 0.194E+02
DAV: 3 -0.959624923017E+02 -0.97835E+02 -0.97532E+02 661 0.116E+02
DAV: 4 -0.100288567967E+03 -0.43261E+01 -0.43174E+01 720 0.281E+01
DAV: 5 -0.100372017230E+03 -0.83449E-01 -0.83423E-01 720 0.351E+00 0.223E+01
DAV: 6 -0.916643147139E+02 0.87077E+01 -0.31151E+01 682 0.298E+01 0.116E+01
DAV: 7 -0.908003134940E+02 0.86400E+00 -0.17829E+00 704 0.634E+00 0.483E+00
DAV: 8 -0.903887728132E+02 0.41154E+00 -0.56626E-01 704 0.433E+00 0.167E+00
DAV: 9 -0.902959407013E+02 0.92832E-01 -0.12493E-01 720 0.200E+00 0.497E-01
DAV: 10 -0.902851229307E+02 0.10818E-01 -0.36297E-02 712 0.963E-01 0.358E-01
DAV: 11 -0.902875326001E+02 -0.24097E-02 -0.12106E-02 688 0.815E-01 0.287E-01
DAV: 12 -0.902883917676E+02 -0.85917E-03 -0.45482E-03 768 0.621E-01 0.119E-01
DAV: 13 -0.902927126673E+02 -0.43209E-02 -0.32606E-03 620 0.309E-01 0.988E-02
DAV: 14 -0.902962220843E+02 -0.35094E-02 -0.79680E-04 648 0.175E-01 0.494E-02
DAV: 15 -0.902995107051E+02 -0.32886E-02 -0.68733E-04 653 0.136E-01 0.320E-02
DAV: 16 -0.903014857788E+02 -0.19751E-02 -0.23636E-04 680 0.979E-02 0.173E-02
DAV: 17 -0.903026751347E+02 -0.11894E-02 -0.16700E-04 658 0.612E-02 0.202E-02
DAV: 18 -0.903031175968E+02 -0.44246E-03 -0.10469E-04 800 0.723E-02 0.123E-02
DAV: 19 -0.903032494846E+02 -0.13189E-03 -0.27028E-05 567 0.272E-02 0.114E-02
DAV: 20 -0.903033008023E+02 -0.51318E-04 -0.92073E-06 488 0.193E-02 0.617E-03
DAV: 21 -0.903033829299E+02 -0.82128E-04 -0.22257E-05 481 0.260E-02 0.499E-03
DAV: 22 -0.903033982606E+02 -0.15331E-04 -0.26155E-06 488 0.113E-02 0.331E-03
DAV: 23 -0.903034054031E+02 -0.71425E-05 -0.30895E-06 428 0.951E-03
1 F= -.90303405E+02 E0= -.90311915E+02 d E =0.255275E-01