iterations/neb0_image01_iter10_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 0.161670723174E+04 0.16167E+04 -0.42275E+04 306 0.697E+02
DAV: 2 0.296206655664E+03 -0.13205E+04 -0.12434E+04 420 0.168E+02
DAV: 3 -0.358038228687E+03 -0.65424E+03 -0.65069E+03 364 0.123E+02
DAV: 4 -0.433513312050E+03 -0.75475E+02 -0.75172E+02 308 0.519E+01
DAV: 5 -0.435225197798E+03 -0.17119E+01 -0.17090E+01 332 0.797E+00 0.427E+01
DAV: 6 -0.389144838836E+03 0.46080E+02 -0.15045E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385618015628E+03 0.35268E+01 -0.12419E+01 340 0.768E+00 0.104E+01
DAV: 8 -0.384168465003E+03 0.14496E+01 -0.25210E+00 332 0.383E+00 0.430E+00
DAV: 9 -0.383595265078E+03 0.57320E+00 -0.75481E-01 324 0.200E+00 0.121E+00
DAV: 10 -0.383547459796E+03 0.47805E-01 -0.54356E-01 340 0.103E+00 0.787E-01
DAV: 11 -0.383520381685E+03 0.27078E-01 -0.31833E-02 324 0.482E-01 0.622E-01
DAV: 12 -0.383496771735E+03 0.23610E-01 -0.13339E-01 372 0.693E-01 0.849E-01
DAV: 13 -0.383487008960E+03 0.97628E-02 -0.68351E-02 340 0.393E-01 0.522E-01
DAV: 14 -0.383484686763E+03 0.23222E-02 -0.21010E-02 300 0.269E-01 0.336E-01
DAV: 15 -0.383488208807E+03 -0.35220E-02 -0.71287E-03 316 0.200E-01 0.291E-01
DAV: 16 -0.383499814126E+03 -0.11605E-01 -0.21220E-02 308 0.280E-01 0.245E-01
DAV: 17 -0.383509503847E+03 -0.96897E-02 -0.45540E-03 316 0.201E-01 0.174E-01
DAV: 18 -0.383518752514E+03 -0.92487E-02 -0.18005E-03 284 0.106E-01 0.105E-01
DAV: 19 -0.383527998701E+03 -0.92462E-02 -0.11812E-03 300 0.753E-02 0.475E-02
DAV: 20 -0.383533181869E+03 -0.51832E-02 -0.38045E-04 324 0.481E-02 0.317E-02
DAV: 21 -0.383539141583E+03 -0.59597E-02 -0.36801E-04 332 0.453E-02 0.514E-02
DAV: 22 -0.383542540572E+03 -0.33990E-02 -0.17004E-04 308 0.321E-02 0.165E-02
DAV: 23 -0.383544059195E+03 -0.15186E-02 -0.92534E-05 300 0.206E-02 0.112E-02
DAV: 24 -0.383544900967E+03 -0.84177E-03 -0.30446E-05 284 0.117E-02 0.117E-02
DAV: 25 -0.383545565783E+03 -0.66482E-03 -0.29327E-05 252 0.121E-02 0.587E-03
DAV: 26 -0.383545908734E+03 -0.34295E-03 -0.12635E-05 228 0.726E-03 0.367E-03
DAV: 27 -0.383546069218E+03 -0.16048E-03 -0.77948E-06 220 0.572E-03 0.187E-03
DAV: 28 -0.383546128396E+03 -0.59178E-04 -0.24765E-06 236 0.352E-03 0.229E-03
DAV: 29 -0.383546203326E+03 -0.74930E-04 -0.25482E-06 188 0.309E-03 0.124E-03
DAV: 30 -0.383546227928E+03 -0.24602E-04 -0.13640E-06 220 0.201E-03 0.145E-03
DAV: 31 -0.383546233673E+03 -0.57451E-05 -0.35367E-07 236 0.133E-03
1 F= -.38354623E+03 E0= -.38355958E+03 d E =0.400408E-01