iterations/neb0_image07_iter18_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 0.150726930270E+04 0.15073E+04 -0.43562E+04 322 0.697E+02
DAV: 2 0.248791608387E+03 -0.12585E+04 -0.11840E+04 428 0.164E+02
DAV: 3 -0.359223215465E+03 -0.60801E+03 -0.60398E+03 356 0.117E+02
DAV: 4 -0.433094213405E+03 -0.73871E+02 -0.73557E+02 316 0.513E+01
DAV: 5 -0.434789304071E+03 -0.16951E+01 -0.16922E+01 332 0.788E+00 0.427E+01
DAV: 6 -0.388801188818E+03 0.45988E+02 -0.14984E+02 324 0.286E+01 0.209E+01
DAV: 7 -0.385295037964E+03 0.35062E+01 -0.12606E+01 332 0.773E+00 0.104E+01
DAV: 8 -0.383885381045E+03 0.14097E+01 -0.27261E+00 332 0.392E+00 0.432E+00
DAV: 9 -0.383318484966E+03 0.56690E+00 -0.64621E-01 332 0.197E+00 0.105E+00
DAV: 10 -0.383270333235E+03 0.48152E-01 -0.29336E-01 332 0.982E-01 0.782E-01
DAV: 11 -0.383246153874E+03 0.24179E-01 -0.34253E-02 316 0.468E-01 0.624E-01
DAV: 12 -0.383237070954E+03 0.90829E-02 -0.14574E-01 372 0.577E-01 0.892E-01
DAV: 13 -0.383218308675E+03 0.18762E-01 -0.14067E-01 308 0.436E-01 0.357E-01
DAV: 14 -0.383219059304E+03 -0.75063E-03 -0.33418E-02 340 0.317E-01 0.343E-01
DAV: 15 -0.383223384675E+03 -0.43254E-02 -0.22255E-02 340 0.273E-01 0.261E-01
DAV: 16 -0.383229009446E+03 -0.56248E-02 -0.60538E-03 300 0.195E-01 0.138E-01
DAV: 17 -0.383240980735E+03 -0.11971E-01 -0.34034E-03 292 0.140E-01 0.153E-01
DAV: 18 -0.383252889165E+03 -0.11908E-01 -0.30269E-03 300 0.151E-01 0.893E-02
DAV: 19 -0.383260569147E+03 -0.76800E-02 -0.12952E-03 316 0.862E-02 0.527E-02
DAV: 20 -0.383264073940E+03 -0.35048E-02 -0.37869E-04 316 0.366E-02 0.308E-02
DAV: 21 -0.383269620154E+03 -0.55462E-02 -0.37101E-04 308 0.363E-02 0.245E-02
DAV: 22 -0.383272981039E+03 -0.33609E-02 -0.21813E-04 308 0.261E-02 0.123E-02
DAV: 23 -0.383274886081E+03 -0.19050E-02 -0.97140E-05 308 0.202E-02 0.707E-03
DAV: 24 -0.383275946069E+03 -0.10600E-02 -0.45841E-05 284 0.127E-02 0.600E-03
DAV: 25 -0.383276393948E+03 -0.44788E-03 -0.17164E-05 228 0.934E-03 0.339E-03
DAV: 26 -0.383276636661E+03 -0.24271E-03 -0.12643E-05 236 0.734E-03 0.377E-03
DAV: 27 -0.383276705895E+03 -0.69234E-04 -0.28632E-06 236 0.454E-03 0.160E-03
DAV: 28 -0.383276782746E+03 -0.76851E-04 -0.36149E-06 204 0.415E-03 0.194E-03
DAV: 29 -0.383276826914E+03 -0.44168E-04 -0.16765E-06 220 0.281E-03 0.116E-03
DAV: 30 -0.383276848166E+03 -0.21252E-04 -0.12313E-06 220 0.206E-03 0.802E-04
DAV: 31 -0.383276857864E+03 -0.96986E-05 -0.44592E-07 228 0.135E-03
1 F= -.38327686E+03 E0= -.38329005E+03 d E =0.395850E-01