iterations/neb0_image05_iter13_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 0.161985313129E+04 0.16199E+04 -0.42285E+04 306 0.697E+02
DAV: 2 0.300187439235E+03 -0.13197E+04 -0.12417E+04 420 0.168E+02
DAV: 3 -0.358413615527E+03 -0.65860E+03 -0.65507E+03 364 0.123E+02
DAV: 4 -0.433387589698E+03 -0.74974E+02 -0.74697E+02 308 0.528E+01
DAV: 5 -0.435051720716E+03 -0.16641E+01 -0.16614E+01 332 0.807E+00 0.427E+01
DAV: 6 -0.389011395566E+03 0.46040E+02 -0.14970E+02 324 0.286E+01 0.209E+01
DAV: 7 -0.385517766170E+03 0.34936E+01 -0.12834E+01 340 0.773E+00 0.104E+01
DAV: 8 -0.384092473139E+03 0.14253E+01 -0.26557E+00 332 0.390E+00 0.431E+00
DAV: 9 -0.383519158839E+03 0.57331E+00 -0.61911E-01 332 0.195E+00 0.106E+00
DAV: 10 -0.383473332871E+03 0.45826E-01 -0.41923E-01 332 0.116E+00 0.118E+00
DAV: 11 -0.383448011816E+03 0.25321E-01 -0.20791E-01 316 0.564E-01 0.758E-01
DAV: 12 -0.383439101604E+03 0.89102E-02 -0.54417E-02 324 0.361E-01 0.574E-01
DAV: 13 -0.383426286749E+03 0.12815E-01 -0.12403E-01 332 0.489E-01 0.652E-01
DAV: 14 -0.383417000455E+03 0.92863E-02 -0.56211E-02 316 0.323E-01 0.278E-01
DAV: 15 -0.383419081975E+03 -0.20815E-02 -0.84764E-03 308 0.274E-01 0.197E-01
DAV: 16 -0.383427873180E+03 -0.87912E-02 -0.40007E-03 316 0.180E-01 0.150E-01
DAV: 17 -0.383443230578E+03 -0.15357E-01 -0.56017E-03 276 0.174E-01 0.121E-01
DAV: 18 -0.383450683029E+03 -0.74525E-02 -0.30933E-03 332 0.137E-01 0.740E-02
DAV: 19 -0.383456108340E+03 -0.54253E-02 -0.61074E-04 316 0.631E-02 0.757E-02
DAV: 20 -0.383463231834E+03 -0.71235E-02 -0.56295E-04 324 0.559E-02 0.461E-02
DAV: 21 -0.383467816000E+03 -0.45842E-02 -0.36685E-04 348 0.532E-02 0.435E-02
DAV: 22 -0.383467945857E+03 -0.12986E-03 -0.95347E-05 316 0.217E-02 0.436E-02
DAV: 23 -0.383468040258E+03 -0.94401E-04 -0.23585E-06 228 0.356E-03 0.431E-02
DAV: 24 -0.383468003973E+03 0.36285E-04 -0.67062E-07 228 0.242E-03 0.439E-02
DAV: 25 -0.383467582319E+03 0.42165E-03 -0.11639E-04 284 0.374E-02 0.766E-02
DAV: 26 -0.383468870553E+03 -0.12882E-02 -0.15141E-04 308 0.318E-02 0.600E-02
DAV: 27 -0.383471432633E+03 -0.25621E-02 -0.21147E-04 316 0.532E-02 0.945E-02
DAV: 28 -0.383473501198E+03 -0.20686E-02 -0.55465E-04 308 0.468E-02 0.404E-02
DAV: 29 -0.383474007315E+03 -0.50612E-03 -0.28533E-05 284 0.188E-02 0.491E-02
DAV: 30 -0.383475406662E+03 -0.13993E-02 -0.88830E-05 284 0.239E-02 0.262E-02
DAV: 31 -0.383476398449E+03 -0.99179E-03 -0.15845E-04 300 0.279E-02 0.275E-02
DAV: 32 -0.383476521679E+03 -0.12323E-03 -0.12917E-05 260 0.109E-02 0.232E-02
DAV: 33 -0.383476664676E+03 -0.14300E-03 -0.15089E-05 236 0.880E-03 0.198E-02
DAV: 34 -0.383476719734E+03 -0.55058E-04 -0.43104E-06 228 0.615E-03 0.164E-02
DAV: 35 -0.383476806639E+03 -0.86905E-04 -0.89946E-06 220 0.867E-03 0.724E-03
DAV: 36 -0.383476841557E+03 -0.34918E-04 -0.74231E-06 244 0.646E-03 0.438E-03
DAV: 37 -0.383476856917E+03 -0.15360E-04 -0.13486E-06 220 0.351E-03 0.767E-03
DAV: 38 -0.383476875214E+03 -0.18297E-04 -0.11418E-06 212 0.370E-03 0.846E-03
DAV: 39 -0.383476885357E+03 -0.10143E-04 -0.18018E-06 228 0.317E-03 0.385E-03
DAV: 40 -0.383476887671E+03 -0.23136E-05 -0.38675E-07 236 0.160E-03
1 F= -.38347689E+03 E0= -.38349149E+03 d E =0.438024E-01