iterations/neb0_image06_iter17_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 0.162096452268E+04 0.16210E+04 -0.42284E+04 306 0.697E+02
DAV: 2 0.301333688434E+03 -0.13196E+04 -0.12412E+04 420 0.168E+02
DAV: 3 -0.357904014048E+03 -0.65924E+03 -0.65486E+03 364 0.123E+02
DAV: 4 -0.433250810975E+03 -0.75347E+02 -0.75072E+02 308 0.528E+01
DAV: 5 -0.434942021705E+03 -0.16912E+01 -0.16888E+01 348 0.811E+00 0.427E+01
DAV: 6 -0.388917855159E+03 0.46024E+02 -0.15062E+02 316 0.286E+01 0.209E+01
DAV: 7 -0.385429512268E+03 0.34883E+01 -0.12582E+01 340 0.771E+00 0.104E+01
DAV: 8 -0.384002687269E+03 0.14268E+01 -0.26545E+00 332 0.390E+00 0.433E+00
DAV: 9 -0.383461353048E+03 0.54133E+00 -0.99799E-01 324 0.206E+00 0.111E+00
DAV: 10 -0.383384954559E+03 0.76398E-01 -0.16105E-01 340 0.978E-01 0.782E-01
DAV: 11 -0.383362873150E+03 0.22081E-01 -0.34356E-02 324 0.467E-01 0.569E-01
DAV: 12 -0.383349126898E+03 0.13746E-01 -0.17745E-01 316 0.544E-01 0.426E-01
DAV: 13 -0.383342635241E+03 0.64917E-02 -0.10626E-02 324 0.323E-01 0.371E-01
DAV: 14 -0.383340951005E+03 0.16842E-02 -0.18535E-02 316 0.391E-01 0.209E-01
DAV: 15 -0.383346721212E+03 -0.57702E-02 -0.69973E-03 332 0.224E-01 0.226E-01
DAV: 16 -0.383349297810E+03 -0.25766E-02 -0.41570E-03 372 0.132E-01 0.184E-01
DAV: 17 -0.383356887500E+03 -0.75897E-02 -0.53010E-03 284 0.111E-01 0.128E-01
DAV: 18 -0.383369513738E+03 -0.12626E-01 -0.32713E-03 300 0.144E-01 0.140E-01
DAV: 19 -0.383373440286E+03 -0.39265E-02 -0.19415E-03 332 0.108E-01 0.866E-02
DAV: 20 -0.383380304606E+03 -0.68643E-02 -0.91826E-04 308 0.750E-02 0.718E-02
DAV: 21 -0.383386626916E+03 -0.63223E-02 -0.38232E-04 308 0.530E-02 0.550E-02
DAV: 22 -0.383390188599E+03 -0.35617E-02 -0.27888E-04 324 0.381E-02 0.297E-02
DAV: 23 -0.383391916180E+03 -0.17276E-02 -0.70710E-05 308 0.216E-02 0.210E-02
DAV: 24 -0.383393696123E+03 -0.17799E-02 -0.76457E-05 300 0.180E-02 0.105E-02
DAV: 25 -0.383394848625E+03 -0.11525E-02 -0.50979E-05 276 0.130E-02 0.900E-03
DAV: 26 -0.383395410085E+03 -0.56146E-03 -0.31218E-05 268 0.130E-02 0.476E-03
DAV: 27 -0.383395582388E+03 -0.17230E-03 -0.67590E-06 228 0.679E-03 0.541E-03
DAV: 28 -0.383395710259E+03 -0.12787E-03 -0.55948E-06 220 0.615E-03 0.365E-03
DAV: 29 -0.383395766125E+03 -0.55866E-04 -0.31456E-06 220 0.461E-03 0.173E-03
DAV: 30 -0.383395787136E+03 -0.21011E-04 -0.10349E-06 236 0.260E-03 0.998E-04
DAV: 31 -0.383395839839E+03 -0.52702E-04 -0.20552E-06 212 0.272E-03 0.151E-03
DAV: 32 -0.383395847206E+03 -0.73676E-05 -0.42350E-07 228 0.139E-03
1 F= -.38339585E+03 E0= -.38340900E+03 d E =0.394581E-01