iterations/neb0_image05_iter14_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 0.161979271584E+04 0.16198E+04 -0.42285E+04 306 0.697E+02
DAV: 2 0.300167023872E+03 -0.13196E+04 -0.12416E+04 420 0.168E+02
DAV: 3 -0.358403658358E+03 -0.65857E+03 -0.65504E+03 364 0.123E+02
DAV: 4 -0.433378691022E+03 -0.74975E+02 -0.74698E+02 308 0.528E+01
DAV: 5 -0.435043150115E+03 -0.16645E+01 -0.16618E+01 332 0.807E+00 0.427E+01
DAV: 6 -0.389010706445E+03 0.46032E+02 -0.14969E+02 324 0.286E+01 0.209E+01
DAV: 7 -0.385516139159E+03 0.34946E+01 -0.12788E+01 340 0.773E+00 0.104E+01
DAV: 8 -0.384094888537E+03 0.14213E+01 -0.27392E+00 332 0.390E+00 0.433E+00
DAV: 9 -0.383516860208E+03 0.57803E+00 -0.62671E-01 332 0.197E+00 0.978E-01
DAV: 10 -0.383456888147E+03 0.59972E-01 -0.16246E-01 340 0.981E-01 0.739E-01
DAV: 11 -0.383441645520E+03 0.15243E-01 -0.42140E-02 316 0.424E-01 0.540E-01
DAV: 12 -0.383427680684E+03 0.13965E-01 -0.12226E-01 316 0.473E-01 0.653E-01
DAV: 13 -0.383417835345E+03 0.98453E-02 -0.65488E-02 308 0.314E-01 0.232E-01
DAV: 14 -0.383419484030E+03 -0.16487E-02 -0.15442E-02 300 0.308E-01 0.307E-01
DAV: 15 -0.383420674972E+03 -0.11909E-02 -0.47855E-03 332 0.174E-01 0.176E-01
DAV: 16 -0.383429915825E+03 -0.92409E-02 -0.31202E-03 268 0.118E-01 0.115E-01
DAV: 17 -0.383445205315E+03 -0.15289E-01 -0.53389E-03 292 0.201E-01 0.767E-02
DAV: 18 -0.383453857911E+03 -0.86526E-02 -0.24370E-03 324 0.131E-01 0.740E-02
DAV: 19 -0.383460148835E+03 -0.62909E-02 -0.37819E-04 300 0.468E-02 0.455E-02
DAV: 20 -0.383468789192E+03 -0.86404E-02 -0.72472E-04 308 0.610E-02 0.265E-02
DAV: 21 -0.383470930166E+03 -0.21410E-02 -0.12097E-04 332 0.276E-02 0.223E-02
DAV: 22 -0.383472791296E+03 -0.18611E-02 -0.66268E-05 300 0.204E-02 0.138E-02
DAV: 23 -0.383475377406E+03 -0.25861E-02 -0.16965E-04 292 0.294E-02 0.141E-02
DAV: 24 -0.383476178040E+03 -0.80063E-03 -0.73621E-05 308 0.222E-02 0.853E-03
DAV: 25 -0.383476325450E+03 -0.14741E-03 -0.18275E-05 284 0.116E-02 0.645E-03
DAV: 26 -0.383476476934E+03 -0.15148E-03 -0.32138E-06 212 0.522E-03 0.374E-03
DAV: 27 -0.383476738992E+03 -0.26206E-03 -0.16455E-05 236 0.102E-02 0.380E-03
DAV: 28 -0.383476801332E+03 -0.62340E-04 -0.54110E-06 228 0.660E-03 0.243E-03
DAV: 29 -0.383476833345E+03 -0.32013E-04 -0.33207E-06 212 0.534E-03 0.197E-03
DAV: 30 -0.383476860228E+03 -0.26883E-04 -0.22617E-06 220 0.435E-03 0.246E-03
DAV: 31 -0.383476871825E+03 -0.11598E-04 -0.12938E-06 228 0.306E-03 0.234E-03
DAV: 32 -0.383476879597E+03 -0.77718E-05 -0.95363E-07 212 0.290E-03
1 F= -.38347688E+03 E0= -.38349029E+03 d E =0.402251E-01