iterations/neb0_image05_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 0.161992625694E+04 0.16199E+04 -0.42286E+04 306 0.697E+02
DAV: 2 0.300248830256E+03 -0.13197E+04 -0.12417E+04 420 0.168E+02
DAV: 3 -0.358394942385E+03 -0.65864E+03 -0.65512E+03 364 0.123E+02
DAV: 4 -0.433387772855E+03 -0.74993E+02 -0.74716E+02 308 0.528E+01
DAV: 5 -0.435052491020E+03 -0.16647E+01 -0.16620E+01 332 0.807E+00 0.427E+01
DAV: 6 -0.389008380794E+03 0.46044E+02 -0.14971E+02 324 0.286E+01 0.208E+01
DAV: 7 -0.385516616851E+03 0.34918E+01 -0.12838E+01 340 0.773E+00 0.104E+01
DAV: 8 -0.384087651612E+03 0.14290E+01 -0.25395E+00 332 0.388E+00 0.430E+00
DAV: 9 -0.383518046613E+03 0.56960E+00 -0.61973E-01 332 0.194E+00 0.988E-01
DAV: 10 -0.383455563888E+03 0.62483E-01 -0.16939E-01 332 0.102E+00 0.725E-01
DAV: 11 -0.383438941444E+03 0.16622E-01 -0.35307E-02 332 0.444E-01 0.540E-01
DAV: 12 -0.383427815585E+03 0.11126E-01 -0.10849E-01 308 0.464E-01 0.670E-01
DAV: 13 -0.383418085229E+03 0.97304E-02 -0.21953E-02 316 0.299E-01 0.323E-01
DAV: 14 -0.383419214876E+03 -0.11296E-02 -0.22635E-02 300 0.289E-01 0.350E-01
DAV: 15 -0.383419687538E+03 -0.47266E-03 -0.10547E-02 308 0.264E-01 0.168E-01
DAV: 16 -0.383428291177E+03 -0.86036E-02 -0.32347E-03 308 0.154E-01 0.121E-01
DAV: 17 -0.383443227631E+03 -0.14936E-01 -0.45981E-03 268 0.169E-01 0.112E-01
DAV: 18 -0.383450761333E+03 -0.75337E-02 -0.24679E-03 308 0.120E-01 0.601E-02
DAV: 19 -0.383458067200E+03 -0.73059E-02 -0.54190E-04 308 0.604E-02 0.534E-02
DAV: 20 -0.383466620202E+03 -0.85530E-02 -0.67617E-04 308 0.473E-02 0.224E-02
DAV: 21 -0.383469843665E+03 -0.32235E-02 -0.13635E-04 308 0.261E-02 0.186E-02
DAV: 22 -0.383472674573E+03 -0.28309E-02 -0.12461E-04 292 0.211E-02 0.119E-02
DAV: 23 -0.383474544841E+03 -0.18703E-02 -0.10300E-04 300 0.178E-02 0.606E-03
DAV: 24 -0.383475192989E+03 -0.64815E-03 -0.28087E-05 260 0.105E-02 0.468E-03
DAV: 25 -0.383475516305E+03 -0.32332E-03 -0.10414E-05 228 0.645E-03 0.339E-03
DAV: 26 -0.383475648139E+03 -0.13183E-03 -0.60821E-06 220 0.433E-03 0.195E-03
DAV: 27 -0.383475716180E+03 -0.68041E-04 -0.22888E-06 220 0.380E-03 0.116E-03
DAV: 28 -0.383475765381E+03 -0.49202E-04 -0.25119E-06 212 0.336E-03 0.154E-03
DAV: 29 -0.383475780387E+03 -0.15005E-04 -0.85675E-07 228 0.275E-03 0.105E-03
DAV: 30 -0.383475791095E+03 -0.10709E-04 -0.99923E-07 220 0.250E-03 0.145E-03
DAV: 31 -0.383475798624E+03 -0.75289E-05 -0.32799E-07 212 0.188E-03
1 F= -.38347580E+03 E0= -.38348903E+03 d E =0.396906E-01