iterations/neb0_image05_iter8_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 0.161984363463E+04 0.16198E+04 -0.42285E+04 306 0.697E+02
DAV: 2 0.300222999406E+03 -0.13196E+04 -0.12416E+04 420 0.168E+02
DAV: 3 -0.358374382875E+03 -0.65860E+03 -0.65506E+03 364 0.123E+02
DAV: 4 -0.433370910140E+03 -0.74997E+02 -0.74720E+02 308 0.528E+01
DAV: 5 -0.435036230109E+03 -0.16653E+01 -0.16626E+01 332 0.807E+00 0.427E+01
DAV: 6 -0.389013887084E+03 0.46022E+02 -0.14970E+02 316 0.286E+01 0.208E+01
DAV: 7 -0.385511765659E+03 0.35021E+01 -0.12583E+01 340 0.771E+00 0.104E+01
DAV: 8 -0.384084404535E+03 0.14274E+01 -0.25919E+00 332 0.386E+00 0.430E+00
DAV: 9 -0.383510195911E+03 0.57421E+00 -0.61821E-01 332 0.195E+00 0.974E-01
DAV: 10 -0.383455190138E+03 0.55006E-01 -0.17935E-01 340 0.100E+00 0.847E-01
DAV: 11 -0.383446699239E+03 0.84909E-02 -0.83440E-02 356 0.498E-01 0.688E-01
DAV: 12 -0.383426139903E+03 0.20559E-01 -0.23545E-02 308 0.342E-01 0.400E-01
DAV: 13 -0.383418727329E+03 0.74126E-02 -0.40721E-02 316 0.437E-01 0.453E-01
DAV: 14 -0.383413318535E+03 0.54088E-02 -0.23982E-02 324 0.338E-01 0.203E-01
DAV: 15 -0.383421441529E+03 -0.81230E-02 -0.10170E-02 308 0.280E-01 0.201E-01
DAV: 16 -0.383428568730E+03 -0.71272E-02 -0.32764E-03 332 0.181E-01 0.107E-01
DAV: 17 -0.383438987969E+03 -0.10419E-01 -0.20570E-03 276 0.111E-01 0.777E-02
DAV: 18 -0.383450013346E+03 -0.11025E-01 -0.19656E-03 300 0.102E-01 0.575E-02
DAV: 19 -0.383457582135E+03 -0.75688E-02 -0.77061E-04 340 0.764E-02 0.551E-02
DAV: 20 -0.383464378544E+03 -0.67964E-02 -0.41803E-04 300 0.506E-02 0.294E-02
DAV: 21 -0.383468410526E+03 -0.40320E-02 -0.20945E-04 324 0.300E-02 0.174E-02
DAV: 22 -0.383470791141E+03 -0.23806E-02 -0.14434E-04 308 0.259E-02 0.123E-02
DAV: 23 -0.383472317165E+03 -0.15260E-02 -0.80889E-05 292 0.163E-02 0.862E-03
DAV: 24 -0.383472848062E+03 -0.53090E-03 -0.27223E-05 260 0.111E-02 0.529E-03
DAV: 25 -0.383473152786E+03 -0.30472E-03 -0.11689E-05 204 0.696E-03 0.324E-03
DAV: 26 -0.383473302832E+03 -0.15005E-03 -0.53767E-06 228 0.417E-03 0.320E-03
DAV: 27 -0.383473395242E+03 -0.92411E-04 -0.35247E-06 204 0.447E-03 0.228E-03
DAV: 28 -0.383473443133E+03 -0.47891E-04 -0.26931E-06 220 0.356E-03 0.172E-03
DAV: 29 -0.383473457872E+03 -0.14739E-04 -0.78845E-07 228 0.198E-03 0.982E-04
DAV: 30 -0.383473469419E+03 -0.11546E-04 -0.63653E-07 212 0.186E-03 0.517E-04
DAV: 31 -0.383473475289E+03 -0.58697E-05 -0.22848E-07 220 0.113E-03
1 F= -.38347348E+03 E0= -.38348652E+03 d E =0.391241E-01