iterations/neb0_image08_iter27_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 0.150763904851E+04 0.15076E+04 -0.43546E+04 322 0.697E+02
DAV: 2 0.251816803752E+03 -0.12558E+04 -0.11786E+04 420 0.164E+02
DAV: 3 -0.357696480394E+03 -0.60951E+03 -0.60505E+03 356 0.117E+02
DAV: 4 -0.432734844847E+03 -0.75038E+02 -0.74695E+02 316 0.516E+01
DAV: 5 -0.434460061216E+03 -0.17252E+01 -0.17222E+01 332 0.796E+00 0.426E+01
DAV: 6 -0.388640619624E+03 0.45819E+02 -0.14935E+02 316 0.285E+01 0.208E+01
DAV: 7 -0.385155326291E+03 0.34853E+01 -0.12435E+01 332 0.770E+00 0.104E+01
DAV: 8 -0.383731642362E+03 0.14237E+01 -0.23503E+00 332 0.391E+00 0.426E+00
DAV: 9 -0.383180738173E+03 0.55090E+00 -0.60985E-01 324 0.192E+00 0.945E-01
DAV: 10 -0.383127170522E+03 0.53568E-01 -0.11856E-01 340 0.902E-01 0.701E-01
DAV: 11 -0.383104494015E+03 0.22677E-01 -0.37858E-02 332 0.481E-01 0.548E-01
DAV: 12 -0.383095850699E+03 0.86433E-02 -0.66878E-02 364 0.374E-01 0.470E-01
DAV: 13 -0.383091836854E+03 0.40138E-02 -0.13122E-01 316 0.453E-01 0.819E-01
DAV: 14 -0.383083169861E+03 0.86670E-02 -0.44116E-02 324 0.219E-01 0.313E-01
DAV: 15 -0.383088929419E+03 -0.57596E-02 -0.10926E-02 292 0.254E-01 0.318E-01
DAV: 16 -0.383095705025E+03 -0.67756E-02 -0.38587E-03 324 0.177E-01 0.129E-01
DAV: 17 -0.383106664924E+03 -0.10960E-01 -0.34878E-03 300 0.144E-01 0.126E-01
DAV: 18 -0.383119581568E+03 -0.12917E-01 -0.31845E-03 292 0.151E-01 0.750E-02
DAV: 19 -0.383125196728E+03 -0.56152E-02 -0.14333E-03 324 0.954E-02 0.620E-02
DAV: 20 -0.383129257001E+03 -0.40603E-02 -0.28918E-04 316 0.438E-02 0.486E-02
DAV: 21 -0.383135365533E+03 -0.61085E-02 -0.39566E-04 316 0.474E-02 0.249E-02
DAV: 22 -0.383137925625E+03 -0.25601E-02 -0.15426E-04 356 0.317E-02 0.189E-02
DAV: 23 -0.383139557515E+03 -0.16319E-02 -0.72758E-05 316 0.249E-02 0.162E-02
DAV: 24 -0.383140453961E+03 -0.89645E-03 -0.54298E-05 308 0.224E-02 0.173E-02
DAV: 25 -0.383140260687E+03 0.19327E-03 -0.27847E-05 260 0.186E-02 0.175E-02
DAV: 26 -0.383140413411E+03 -0.15272E-03 -0.42210E-05 292 0.158E-02 0.177E-02
DAV: 27 -0.383140890757E+03 -0.47735E-03 -0.12278E-04 356 0.370E-02 0.128E-02
DAV: 28 -0.383141799144E+03 -0.90839E-03 -0.19611E-04 332 0.385E-02 0.143E-02
DAV: 29 -0.383141978185E+03 -0.17904E-03 -0.84087E-05 332 0.259E-02 0.213E-02
DAV: 30 -0.383141979868E+03 -0.16833E-05 -0.13133E-05 260 0.803E-03
1 F= -.38314198E+03 E0= -.38315623E+03 d E =0.427613E-01