iterations/neb0_image03_iter22_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 0.161854636308E+04 0.16185E+04 -0.42276E+04 306 0.697E+02
DAV: 2 0.297670930242E+03 -0.13209E+04 -0.12437E+04 420 0.168E+02
DAV: 3 -0.362728341590E+03 -0.66040E+03 -0.65727E+03 372 0.123E+02
DAV: 4 -0.433658532734E+03 -0.70930E+02 -0.70673E+02 316 0.506E+01
DAV: 5 -0.435167803860E+03 -0.15093E+01 -0.15071E+01 324 0.768E+00 0.427E+01
DAV: 6 -0.389104919553E+03 0.46063E+02 -0.15074E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385599397885E+03 0.35055E+01 -0.12416E+01 340 0.768E+00 0.104E+01
DAV: 8 -0.384163855308E+03 0.14355E+01 -0.28155E+00 340 0.390E+00 0.436E+00
DAV: 9 -0.383610055486E+03 0.55380E+00 -0.10072E+00 324 0.206E+00 0.111E+00
DAV: 10 -0.383528992369E+03 0.81063E-01 -0.16089E-01 332 0.997E-01 0.780E-01
DAV: 11 -0.383506317586E+03 0.22675E-01 -0.33795E-02 316 0.468E-01 0.558E-01
DAV: 12 -0.383492349007E+03 0.13969E-01 -0.16738E-01 324 0.552E-01 0.470E-01
DAV: 13 -0.383484965909E+03 0.73831E-02 -0.94381E-03 324 0.314E-01 0.439E-01
DAV: 14 -0.383484971573E+03 -0.56641E-05 -0.38502E-02 348 0.426E-01 0.417E-01
DAV: 15 -0.383487501168E+03 -0.25296E-02 -0.78424E-03 308 0.255E-01 0.171E-01
DAV: 16 -0.383494118606E+03 -0.66174E-02 -0.31361E-03 292 0.130E-01 0.149E-01
DAV: 17 -0.383503852664E+03 -0.97341E-02 -0.73293E-03 292 0.129E-01 0.173E-01
DAV: 18 -0.383513359433E+03 -0.95068E-02 -0.92792E-03 292 0.159E-01 0.128E-01
DAV: 19 -0.383519162616E+03 -0.58032E-02 -0.14799E-03 316 0.968E-02 0.839E-02
DAV: 20 -0.383524402075E+03 -0.52395E-02 -0.30981E-04 316 0.420E-02 0.681E-02
DAV: 21 -0.383531974516E+03 -0.75724E-02 -0.77533E-04 324 0.575E-02 0.222E-02
DAV: 22 -0.383534858017E+03 -0.28835E-02 -0.15894E-04 308 0.288E-02 0.268E-02
DAV: 23 -0.383536490695E+03 -0.16327E-02 -0.47990E-05 284 0.144E-02 0.260E-02
DAV: 24 -0.383538996880E+03 -0.25062E-02 -0.24521E-04 292 0.276E-02 0.129E-02
DAV: 25 -0.383539386098E+03 -0.38922E-03 -0.26630E-05 284 0.129E-02 0.765E-03
DAV: 26 -0.383539725600E+03 -0.33950E-03 -0.14438E-05 220 0.950E-03 0.570E-03
DAV: 27 -0.383540029443E+03 -0.30384E-03 -0.14034E-05 236 0.783E-03 0.372E-03
DAV: 28 -0.383540175258E+03 -0.14582E-03 -0.65820E-06 228 0.577E-03 0.219E-03
DAV: 29 -0.383540227251E+03 -0.51993E-04 -0.23933E-06 220 0.346E-03 0.300E-03
DAV: 30 -0.383540269927E+03 -0.42675E-04 -0.16854E-06 204 0.345E-03 0.141E-03
DAV: 31 -0.383540300133E+03 -0.30207E-04 -0.14319E-06 212 0.271E-03 0.163E-03
DAV: 32 -0.383540315446E+03 -0.15313E-04 -0.91619E-07 220 0.231E-03 0.766E-04
DAV: 33 -0.383540319893E+03 -0.44463E-05 -0.50983E-07 228 0.194E-03
1 F= -.38354032E+03 E0= -.38355368E+03 d E =0.400760E-01