iterations/neb0_image05_iter22_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 0.161956204780E+04 0.16196E+04 -0.42285E+04 306 0.697E+02
DAV: 2 0.299964466137E+03 -0.13196E+04 -0.12415E+04 420 0.168E+02
DAV: 3 -0.358465185657E+03 -0.65843E+03 -0.65493E+03 364 0.123E+02
DAV: 4 -0.433370681354E+03 -0.74905E+02 -0.74629E+02 308 0.527E+01
DAV: 5 -0.435032290391E+03 -0.16616E+01 -0.16589E+01 332 0.806E+00 0.426E+01
DAV: 6 -0.389015356244E+03 0.46017E+02 -0.14968E+02 324 0.286E+01 0.208E+01
DAV: 7 -0.385522086848E+03 0.34933E+01 -0.12770E+01 340 0.773E+00 0.104E+01
DAV: 8 -0.384104605063E+03 0.14175E+01 -0.28682E+00 332 0.392E+00 0.435E+00
DAV: 9 -0.383530392774E+03 0.57421E+00 -0.69732E-01 324 0.201E+00 0.114E+00
DAV: 10 -0.383481689112E+03 0.48704E-01 -0.47912E-01 340 0.105E+00 0.784E-01
DAV: 11 -0.383457108589E+03 0.24581E-01 -0.30637E-02 324 0.483E-01 0.620E-01
DAV: 12 -0.383434250936E+03 0.22858E-01 -0.11275E-01 356 0.672E-01 0.752E-01
DAV: 13 -0.383429605626E+03 0.46453E-02 -0.10062E-01 348 0.410E-01 0.657E-01
DAV: 14 -0.383423507993E+03 0.60976E-02 -0.60267E-02 300 0.339E-01 0.319E-01
DAV: 15 -0.383426530755E+03 -0.30228E-02 -0.91876E-03 316 0.223E-01 0.332E-01
DAV: 16 -0.383436462445E+03 -0.99317E-02 -0.26658E-02 308 0.283E-01 0.255E-01
DAV: 17 -0.383443185691E+03 -0.67232E-02 -0.41050E-03 316 0.181E-01 0.126E-01
DAV: 18 -0.383450481108E+03 -0.72954E-02 -0.11815E-03 276 0.914E-02 0.965E-02
DAV: 19 -0.383462713350E+03 -0.12232E-01 -0.21366E-03 292 0.102E-01 0.572E-02
DAV: 20 -0.383467773551E+03 -0.50602E-02 -0.48337E-04 332 0.577E-02 0.417E-02
DAV: 21 -0.383472735842E+03 -0.49623E-02 -0.46813E-04 340 0.557E-02 0.475E-02
DAV: 22 -0.383476729429E+03 -0.39936E-02 -0.19041E-04 316 0.315E-02 0.228E-02
DAV: 23 -0.383478843105E+03 -0.21137E-02 -0.98409E-05 300 0.212E-02 0.237E-02
DAV: 24 -0.383480726387E+03 -0.18833E-02 -0.10847E-04 292 0.226E-02 0.188E-02
DAV: 25 -0.383481473474E+03 -0.74709E-03 -0.43252E-05 268 0.133E-02 0.515E-03
DAV: 26 -0.383482179990E+03 -0.70652E-03 -0.40004E-05 268 0.104E-02 0.442E-03
DAV: 27 -0.383482366499E+03 -0.18651E-03 -0.56532E-06 228 0.528E-03 0.414E-03
DAV: 28 -0.383482478032E+03 -0.11153E-03 -0.40663E-06 204 0.362E-03 0.247E-03
DAV: 29 -0.383482548253E+03 -0.70221E-04 -0.27835E-06 220 0.302E-03 0.165E-03
DAV: 30 -0.383482582635E+03 -0.34382E-04 -0.16408E-06 212 0.228E-03 0.139E-03
DAV: 31 -0.383482591950E+03 -0.93147E-05 -0.58709E-07 228 0.167E-03
1 F= -.38348259E+03 E0= -.38349632E+03 d E =0.411872E-01