iterations/neb0_image08_iter24_OSZICAR.out output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.150753979826E+04 0.15075E+04 -0.43546E+04 322 0.697E+02
DAV: 2 0.251747824923E+03 -0.12558E+04 -0.11787E+04 420 0.164E+02
DAV: 3 -0.357733202628E+03 -0.60948E+03 -0.60488E+03 356 0.117E+02
DAV: 4 -0.432736395110E+03 -0.75003E+02 -0.74661E+02 316 0.516E+01
DAV: 5 -0.434461534700E+03 -0.17251E+01 -0.17221E+01 332 0.796E+00 0.426E+01
DAV: 6 -0.388637790948E+03 0.45824E+02 -0.14938E+02 316 0.286E+01 0.208E+01
DAV: 7 -0.385145996876E+03 0.34918E+01 -0.12348E+01 332 0.769E+00 0.104E+01
DAV: 8 -0.383729035596E+03 0.14170E+01 -0.24416E+00 332 0.392E+00 0.427E+00
DAV: 9 -0.383176699535E+03 0.55234E+00 -0.60422E-01 324 0.192E+00 0.948E-01
DAV: 10 -0.383121808518E+03 0.54891E-01 -0.12447E-01 332 0.917E-01 0.720E-01
DAV: 11 -0.383098459523E+03 0.23349E-01 -0.40176E-02 348 0.496E-01 0.552E-01
DAV: 12 -0.383091567920E+03 0.68916E-02 -0.86706E-02 388 0.401E-01 0.489E-01
DAV: 13 -0.383080017357E+03 0.11551E-01 -0.19715E-02 308 0.326E-01 0.255E-01
DAV: 14 -0.383081399540E+03 -0.13822E-02 -0.20696E-02 324 0.338E-01 0.283E-01
DAV: 15 -0.383085961531E+03 -0.45620E-02 -0.56724E-03 316 0.216E-01 0.169E-01
DAV: 16 -0.383096463746E+03 -0.10502E-01 -0.67140E-03 300 0.156E-01 0.197E-01
DAV: 17 -0.383102726926E+03 -0.62632E-02 -0.22873E-03 308 0.121E-01 0.111E-01
DAV: 18 -0.383113234655E+03 -0.10508E-01 -0.24535E-03 276 0.125E-01 0.945E-02
DAV: 19 -0.383118560375E+03 -0.53257E-02 -0.11333E-03 324 0.750E-02 0.550E-02
DAV: 20 -0.383126057602E+03 -0.74972E-02 -0.52193E-04 300 0.519E-02 0.307E-02
DAV: 21 -0.383132060487E+03 -0.60029E-02 -0.34137E-04 316 0.369E-02 0.211E-02
DAV: 22 -0.383134374523E+03 -0.23140E-02 -0.12260E-04 300 0.247E-02 0.176E-02
DAV: 23 -0.383136156164E+03 -0.17816E-02 -0.10635E-04 316 0.212E-02 0.157E-02
DAV: 24 -0.383136819906E+03 -0.66374E-03 -0.31693E-05 252 0.134E-02 0.927E-03
DAV: 25 -0.383137132568E+03 -0.31266E-03 -0.17005E-05 236 0.901E-03 0.477E-03
DAV: 26 -0.383137276572E+03 -0.14400E-03 -0.56737E-06 228 0.606E-03 0.287E-03
DAV: 27 -0.383137411503E+03 -0.13493E-03 -0.46284E-06 204 0.439E-03 0.310E-03
DAV: 28 -0.383137479292E+03 -0.67789E-04 -0.24655E-06 228 0.381E-03 0.185E-03
DAV: 29 -0.383137523211E+03 -0.43919E-04 -0.25554E-06 212 0.365E-03 0.185E-03
DAV: 30 -0.383137531565E+03 -0.83544E-05 -0.69767E-07 236 0.260E-03
1 F= -.38313753E+03 E0= -.38315124E+03 d E =0.411288E-01