iterations/neb0_image05_iter26_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 0.161936388985E+04 0.16194E+04 -0.42283E+04 306 0.697E+02
DAV: 2 0.299882966995E+03 -0.13195E+04 -0.12414E+04 420 0.168E+02
DAV: 3 -0.358447117716E+03 -0.65833E+03 -0.65484E+03 364 0.123E+02
DAV: 4 -0.433344740281E+03 -0.74898E+02 -0.74621E+02 308 0.527E+01
DAV: 5 -0.435006775467E+03 -0.16620E+01 -0.16593E+01 332 0.806E+00 0.426E+01
DAV: 6 -0.389010840837E+03 0.45996E+02 -0.14964E+02 324 0.286E+01 0.208E+01
DAV: 7 -0.385522610519E+03 0.34882E+01 -0.12769E+01 340 0.772E+00 0.104E+01
DAV: 8 -0.384102192079E+03 0.14204E+01 -0.27730E+00 332 0.391E+00 0.433E+00
DAV: 9 -0.383523538646E+03 0.57865E+00 -0.62889E-01 332 0.198E+00 0.986E-01
DAV: 10 -0.383464025166E+03 0.59513E-01 -0.17966E-01 332 0.101E+00 0.798E-01
DAV: 11 -0.383455693439E+03 0.83317E-02 -0.77350E-02 356 0.501E-01 0.706E-01
DAV: 12 -0.383434201089E+03 0.21492E-01 -0.38664E-02 308 0.374E-01 0.365E-01
DAV: 13 -0.383428392626E+03 0.58085E-02 -0.40353E-02 316 0.404E-01 0.452E-01
DAV: 14 -0.383423594682E+03 0.47979E-02 -0.20989E-02 308 0.324E-01 0.226E-01
DAV: 15 -0.383430344943E+03 -0.67503E-02 -0.94276E-03 300 0.270E-01 0.186E-01
DAV: 16 -0.383439034475E+03 -0.86895E-02 -0.40664E-03 332 0.190E-01 0.113E-01
DAV: 17 -0.383449259826E+03 -0.10225E-01 -0.21828E-03 276 0.112E-01 0.774E-02
DAV: 18 -0.383460295652E+03 -0.11036E-01 -0.23768E-03 300 0.110E-01 0.885E-02
DAV: 19 -0.383466143831E+03 -0.58482E-02 -0.63926E-04 356 0.750E-02 0.585E-02
DAV: 20 -0.383473343761E+03 -0.71999E-02 -0.49213E-04 300 0.554E-02 0.238E-02
DAV: 21 -0.383477657553E+03 -0.43138E-02 -0.23136E-04 324 0.324E-02 0.222E-02
DAV: 22 -0.383479994675E+03 -0.23371E-02 -0.11919E-04 316 0.248E-02 0.139E-02
DAV: 23 -0.383481787960E+03 -0.17933E-02 -0.95290E-05 300 0.194E-02 0.802E-03
DAV: 24 -0.383482469433E+03 -0.68147E-03 -0.29902E-05 268 0.113E-02 0.591E-03
DAV: 25 -0.383482773935E+03 -0.30450E-03 -0.14098E-05 228 0.888E-03 0.344E-03
DAV: 26 -0.383482932761E+03 -0.15883E-03 -0.65272E-06 204 0.554E-03 0.256E-03
DAV: 27 -0.383483007326E+03 -0.74565E-04 -0.27771E-06 228 0.360E-03 0.170E-03
DAV: 28 -0.383483062094E+03 -0.54768E-04 -0.21593E-06 212 0.323E-03 0.106E-03
DAV: 29 -0.383483094379E+03 -0.32285E-04 -0.15989E-06 220 0.261E-03 0.991E-04
DAV: 30 -0.383483106982E+03 -0.12603E-04 -0.56057E-07 228 0.161E-03 0.781E-04
DAV: 31 -0.383483117370E+03 -0.10388E-04 -0.55953E-07 220 0.171E-03 0.744E-04
DAV: 32 -0.383483119853E+03 -0.24830E-05 -0.14881E-07 228 0.103E-03
1 F= -.38348312E+03 E0= -.38349644E+03 d E =0.399700E-01