iterations/neb0_image08_iter21_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 0.150783681426E+04 0.15078E+04 -0.43548E+04 322 0.697E+02
DAV: 2 0.252025194098E+03 -0.12558E+04 -0.11788E+04 420 0.164E+02
DAV: 3 -0.357690227041E+03 -0.60972E+03 -0.60493E+03 356 0.117E+02
DAV: 4 -0.432758921965E+03 -0.75069E+02 -0.74726E+02 316 0.516E+01
DAV: 5 -0.434485893072E+03 -0.17270E+01 -0.17240E+01 332 0.796E+00 0.426E+01
DAV: 6 -0.388613258916E+03 0.45873E+02 -0.14941E+02 316 0.286E+01 0.208E+01
DAV: 7 -0.385103063985E+03 0.35102E+01 -0.12264E+01 332 0.771E+00 0.104E+01
DAV: 8 -0.383688493870E+03 0.14146E+01 -0.23401E+00 332 0.386E+00 0.426E+00
DAV: 9 -0.383141317521E+03 0.54718E+00 -0.70321E-01 332 0.196E+00 0.121E+00
DAV: 10 -0.383100009325E+03 0.41308E-01 -0.55276E-01 348 0.101E+00 0.772E-01
DAV: 11 -0.383074650537E+03 0.25359E-01 -0.32446E-02 316 0.481E-01 0.572E-01
DAV: 12 -0.383053599426E+03 0.21051E-01 -0.95295E-02 348 0.631E-01 0.684E-01
DAV: 13 -0.383045590999E+03 0.80084E-02 -0.55981E-02 332 0.345E-01 0.337E-01
DAV: 14 -0.383046001815E+03 -0.41082E-03 -0.31880E-02 300 0.278E-01 0.453E-01
DAV: 15 -0.383047856554E+03 -0.18547E-02 -0.24704E-02 316 0.254E-01 0.199E-01
DAV: 16 -0.383057745237E+03 -0.98887E-02 -0.87686E-03 300 0.249E-01 0.126E-01
DAV: 17 -0.383066585107E+03 -0.88399E-02 -0.30481E-03 308 0.158E-01 0.138E-01
DAV: 18 -0.383074978290E+03 -0.83932E-02 -0.94112E-04 300 0.855E-02 0.633E-02
DAV: 19 -0.383084390523E+03 -0.94122E-02 -0.13296E-03 292 0.877E-02 0.582E-02
DAV: 20 -0.383088866729E+03 -0.44762E-02 -0.43617E-04 324 0.563E-02 0.980E-02
DAV: 21 -0.383091887942E+03 -0.30212E-02 -0.21317E-04 308 0.467E-02 0.240E-02
DAV: 22 -0.383097608033E+03 -0.57201E-02 -0.47555E-04 300 0.424E-02 0.399E-02
DAV: 23 -0.383098386528E+03 -0.77850E-03 -0.36469E-05 276 0.165E-02 0.177E-02
DAV: 24 -0.383099763238E+03 -0.13767E-02 -0.82195E-05 300 0.201E-02 0.964E-03
DAV: 25 -0.383100419739E+03 -0.65650E-03 -0.23084E-05 260 0.107E-02 0.828E-03
DAV: 26 -0.383100709402E+03 -0.28966E-03 -0.10415E-05 220 0.719E-03 0.410E-03
DAV: 27 -0.383100982651E+03 -0.27325E-03 -0.13019E-05 220 0.580E-03 0.267E-03
DAV: 28 -0.383101067178E+03 -0.84528E-04 -0.26364E-06 228 0.355E-03 0.217E-03
DAV: 29 -0.383101154438E+03 -0.87259E-04 -0.31918E-06 204 0.306E-03 0.147E-03
DAV: 30 -0.383101178490E+03 -0.24052E-04 -0.13262E-06 228 0.264E-03 0.121E-03
DAV: 31 -0.383101193510E+03 -0.15020E-04 -0.87536E-07 220 0.217E-03 0.132E-03
DAV: 32 -0.383101201066E+03 -0.75557E-05 -0.37664E-07 220 0.142E-03
1 F= -.38310120E+03 E0= -.38311444E+03 d E =0.397125E-01