iterations/neb0_image03_iter244_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 0.363368574564E+03 0.36337E+03 -0.14325E+04 632 0.799E+02
DAV: 2 0.186707629350E+01 -0.36150E+03 -0.35055E+03 834 0.195E+02
DAV: 3 -0.959503672571E+02 -0.97817E+02 -0.97489E+02 672 0.116E+02
DAV: 4 -0.100306087731E+03 -0.43557E+01 -0.43442E+01 704 0.280E+01
DAV: 5 -0.100390711429E+03 -0.84624E-01 -0.84594E-01 736 0.351E+00 0.222E+01
DAV: 6 -0.917154765159E+02 0.86752E+01 -0.31395E+01 677 0.300E+01 0.117E+01
DAV: 7 -0.908775157852E+02 0.83796E+00 -0.17955E+00 720 0.631E+00 0.484E+00
DAV: 8 -0.904862691801E+02 0.39125E+00 -0.55506E-01 704 0.424E+00 0.169E+00
DAV: 9 -0.903943340762E+02 0.91935E-01 -0.13061E-01 720 0.168E+00 0.435E-01
DAV: 10 -0.903876609128E+02 0.66732E-02 -0.45181E-02 704 0.114E+00 0.329E-01
DAV: 11 -0.903924930521E+02 -0.48321E-02 -0.91857E-03 624 0.651E-01 0.125E-01
DAV: 12 -0.903948982495E+02 -0.24052E-02 -0.38807E-03 632 0.319E-01 0.107E-01
DAV: 13 -0.903996295726E+02 -0.47313E-02 -0.21480E-03 658 0.274E-01 0.876E-02
DAV: 14 -0.904026408356E+02 -0.30113E-02 -0.90442E-04 680 0.149E-01 0.409E-02
DAV: 15 -0.904048439881E+02 -0.22032E-02 -0.36877E-04 669 0.902E-02 0.240E-02
DAV: 16 -0.904062434814E+02 -0.13995E-02 -0.17774E-04 661 0.600E-02 0.132E-02
DAV: 17 -0.904069040103E+02 -0.66053E-03 -0.66109E-05 608 0.358E-02 0.901E-03
DAV: 18 -0.904071793103E+02 -0.27530E-03 -0.48882E-05 597 0.310E-02 0.766E-03
DAV: 19 -0.904072277480E+02 -0.48438E-04 -0.83476E-06 520 0.234E-02 0.242E-03
DAV: 20 -0.904072863508E+02 -0.58603E-04 -0.13727E-05 450 0.172E-02 0.482E-03
DAV: 21 -0.904073001197E+02 -0.13769E-04 -0.24319E-06 480 0.958E-03 0.290E-03
DAV: 22 -0.904073033143E+02 -0.31946E-05 -0.24406E-06 536 0.937E-03
1 F= -.90407303E+02 E0= -.90415216E+02 d E =0.237381E-01