iterations/neb0_image04_iter28_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 0.161884708901E+04 0.16188E+04 -0.42280E+04 306 0.697E+02
DAV: 2 0.298000346157E+03 -0.13208E+04 -0.12419E+04 420 0.168E+02
DAV: 3 -0.354106246483E+03 -0.65211E+03 -0.64852E+03 356 0.123E+02
DAV: 4 -0.433250014277E+03 -0.79144E+02 -0.78803E+02 316 0.540E+01
DAV: 5 -0.435094248429E+03 -0.18442E+01 -0.18420E+01 340 0.830E+00 0.427E+01
DAV: 6 -0.389062589851E+03 0.46032E+02 -0.15048E+02 316 0.286E+01 0.208E+01
DAV: 7 -0.385568497534E+03 0.34941E+01 -0.12522E+01 340 0.769E+00 0.104E+01
DAV: 8 -0.384136932649E+03 0.14316E+01 -0.25311E+00 332 0.386E+00 0.432E+00
DAV: 9 -0.383586651372E+03 0.55028E+00 -0.97451E-01 324 0.206E+00 0.111E+00
DAV: 10 -0.383513350022E+03 0.73301E-01 -0.17302E-01 340 0.970E-01 0.813E-01
DAV: 11 -0.383491416468E+03 0.21934E-01 -0.53315E-02 324 0.480E-01 0.640E-01
DAV: 12 -0.383478503875E+03 0.12913E-01 -0.22400E-01 316 0.549E-01 0.444E-01
DAV: 13 -0.383471119557E+03 0.73843E-02 -0.13168E-02 324 0.337E-01 0.379E-01
DAV: 14 -0.383471327544E+03 -0.20799E-03 -0.35041E-02 308 0.401E-01 0.407E-01
DAV: 15 -0.383472629057E+03 -0.13015E-02 -0.25893E-02 348 0.270E-01 0.274E-01
DAV: 16 -0.383475602374E+03 -0.29733E-02 -0.35708E-03 340 0.134E-01 0.188E-01
DAV: 17 -0.383486671994E+03 -0.11070E-01 -0.34650E-03 292 0.181E-01 0.249E-01
DAV: 18 -0.383493150544E+03 -0.64785E-02 -0.21310E-03 308 0.141E-01 0.110E-01
DAV: 19 -0.383503085069E+03 -0.99345E-02 -0.21244E-03 308 0.132E-01 0.204E-01
DAV: 20 -0.383507543857E+03 -0.44588E-02 -0.66926E-04 316 0.832E-02 0.581E-02
DAV: 21 -0.383513619927E+03 -0.60761E-02 -0.71803E-04 300 0.666E-02 0.305E-02
DAV: 22 -0.383516776155E+03 -0.31562E-02 -0.19620E-04 316 0.379E-02 0.362E-02
DAV: 23 -0.383519160684E+03 -0.23845E-02 -0.13158E-04 324 0.317E-02 0.289E-02
DAV: 24 -0.383521636367E+03 -0.24757E-02 -0.15293E-04 300 0.245E-02 0.269E-02
DAV: 25 -0.383522830100E+03 -0.11937E-02 -0.63752E-05 300 0.194E-02 0.131E-02
DAV: 26 -0.383523232926E+03 -0.40283E-03 -0.24171E-05 268 0.124E-02 0.623E-03
DAV: 27 -0.383523459310E+03 -0.22638E-03 -0.63742E-06 228 0.601E-03 0.472E-03
DAV: 28 -0.383523684475E+03 -0.22516E-03 -0.11959E-05 212 0.612E-03 0.338E-03
DAV: 29 -0.383523722516E+03 -0.38041E-04 -0.15464E-06 236 0.297E-03 0.259E-03
DAV: 30 -0.383523803310E+03 -0.80794E-04 -0.30411E-06 204 0.346E-03 0.100E-03
DAV: 31 -0.383523815911E+03 -0.12601E-04 -0.70767E-07 228 0.167E-03 0.874E-04
DAV: 32 -0.383523830348E+03 -0.14437E-04 -0.45987E-07 204 0.154E-03 0.561E-04
DAV: 33 -0.383523840548E+03 -0.10200E-04 -0.40758E-07 212 0.123E-03 0.669E-04
DAV: 34 -0.383523842529E+03 -0.19811E-05 -0.97187E-08 228 0.716E-04
1 F= -.38352384E+03 E0= -.38353705E+03 d E =0.396310E-01