iterations/neb0_image08_iter25_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 0.150755380872E+04 0.15076E+04 -0.43546E+04 322 0.697E+02
DAV: 2 0.251767279004E+03 -0.12558E+04 -0.11786E+04 420 0.164E+02
DAV: 3 -0.357710264651E+03 -0.60948E+03 -0.60494E+03 356 0.117E+02
DAV: 4 -0.432727483017E+03 -0.75017E+02 -0.74675E+02 316 0.516E+01
DAV: 5 -0.434452634310E+03 -0.17252E+01 -0.17221E+01 332 0.796E+00 0.426E+01
DAV: 6 -0.388637484273E+03 0.45815E+02 -0.14936E+02 316 0.286E+01 0.208E+01
DAV: 7 -0.385150906797E+03 0.34866E+01 -0.12394E+01 332 0.769E+00 0.104E+01
DAV: 8 -0.383729508257E+03 0.14214E+01 -0.23712E+00 332 0.391E+00 0.426E+00
DAV: 9 -0.383178170803E+03 0.55134E+00 -0.60796E-01 324 0.192E+00 0.945E-01
DAV: 10 -0.383124367951E+03 0.53803E-01 -0.11946E-01 340 0.906E-01 0.705E-01
DAV: 11 -0.383101465434E+03 0.22903E-01 -0.38435E-02 332 0.483E-01 0.546E-01
DAV: 12 -0.383092583288E+03 0.88821E-02 -0.67448E-02 372 0.382E-01 0.460E-01
DAV: 13 -0.383087566801E+03 0.50165E-02 -0.11112E-01 324 0.441E-01 0.772E-01
DAV: 14 -0.383080240256E+03 0.73265E-02 -0.37228E-02 324 0.207E-01 0.296E-01
DAV: 15 -0.383085861984E+03 -0.56217E-02 -0.94553E-03 292 0.244E-01 0.277E-01
DAV: 16 -0.383092770664E+03 -0.69087E-02 -0.34887E-03 324 0.169E-01 0.121E-01
DAV: 17 -0.383105438483E+03 -0.12668E-01 -0.26083E-03 292 0.153E-01 0.107E-01
DAV: 18 -0.383117129687E+03 -0.11691E-01 -0.28973E-03 292 0.145E-01 0.612E-02
DAV: 19 -0.383123222522E+03 -0.60928E-02 -0.11924E-03 324 0.870E-02 0.622E-02
DAV: 20 -0.383127674338E+03 -0.44518E-02 -0.23052E-04 308 0.397E-02 0.439E-02
DAV: 21 -0.383132942530E+03 -0.52682E-02 -0.31881E-04 316 0.377E-02 0.208E-02
DAV: 22 -0.383136163471E+03 -0.32209E-02 -0.19076E-04 300 0.283E-02 0.158E-02
DAV: 23 -0.383138285517E+03 -0.21220E-02 -0.12591E-04 308 0.213E-02 0.693E-03
DAV: 24 -0.383138986712E+03 -0.70119E-03 -0.23360E-05 244 0.109E-02 0.711E-03
DAV: 25 -0.383139514782E+03 -0.52807E-03 -0.29041E-05 252 0.119E-02 0.582E-03
DAV: 26 -0.383139669240E+03 -0.15446E-03 -0.62903E-06 228 0.654E-03 0.437E-03
DAV: 27 -0.383139749416E+03 -0.80176E-04 -0.41986E-06 220 0.556E-03 0.288E-03
DAV: 28 -0.383139818696E+03 -0.69280E-04 -0.28103E-06 212 0.399E-03 0.203E-03
DAV: 29 -0.383139869494E+03 -0.50798E-04 -0.19521E-06 212 0.335E-03 0.150E-03
DAV: 30 -0.383139893586E+03 -0.24092E-04 -0.13617E-06 228 0.300E-03 0.129E-03
DAV: 31 -0.383139904818E+03 -0.11232E-04 -0.82819E-07 220 0.263E-03 0.895E-04
DAV: 32 -0.383139913319E+03 -0.85012E-05 -0.74423E-07 220 0.262E-03
1 F= -.38313991E+03 E0= -.38315420E+03 d E =0.428632E-01