iterations/neb0_image02_iter62_OSZICAR.out output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
N E dE d eps ncg rms rms(c)
DAV: 1 0.144781124963E+04 0.14478E+04 -0.44193E+04 330 0.697E+02
DAV: 2 0.224015093029E+03 -0.12238E+04 -0.11468E+04 435 0.163E+02
DAV: 3 -0.363107863330E+03 -0.58712E+03 -0.58401E+03 345 0.114E+02
DAV: 4 -0.433494755746E+03 -0.70387E+02 -0.70144E+02 318 0.508E+01
DAV: 5 -0.435068537853E+03 -0.15738E+01 -0.15713E+01 318 0.780E+00 0.426E+01
DAV: 6 -0.389084150820E+03 0.45984E+02 -0.14816E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385613531957E+03 0.34706E+01 -0.13473E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384136002169E+03 0.14775E+01 -0.20814E+00 336 0.383E+00 0.431E+00
DAV: 9 -0.383582500781E+03 0.55350E+00 -0.10576E+00 336 0.226E+00 0.123E+00
DAV: 10 -0.383521217717E+03 0.61283E-01 -0.27985E-01 336 0.113E+00 0.120E+00
DAV: 11 -0.383502831502E+03 0.18386E-01 -0.28139E-01 354 0.692E-01 0.959E-01
DAV: 12 -0.383497904226E+03 0.49273E-02 -0.57173E-02 354 0.663E-01 0.104E+00
DAV: 13 -0.383462393464E+03 0.35511E-01 -0.30796E-02 372 0.496E-01 0.518E-01
DAV: 14 -0.383453508344E+03 0.88851E-02 -0.18287E-02 318 0.365E-01 0.306E-01
DAV: 15 -0.383450207551E+03 0.33008E-02 -0.16682E-02 327 0.410E-01 0.364E-01
DAV: 16 -0.383450714098E+03 -0.50655E-03 -0.54757E-03 345 0.271E-01 0.263E-01
DAV: 17 -0.383455756055E+03 -0.50420E-02 -0.24932E-03 309 0.189E-01 0.179E-01
DAV: 18 -0.383464807511E+03 -0.90515E-02 -0.33144E-03 300 0.184E-01 0.110E-01
DAV: 19 -0.383475025415E+03 -0.10218E-01 -0.18672E-03 309 0.138E-01 0.888E-02
DAV: 20 -0.383483903311E+03 -0.88779E-02 -0.13111E-03 318 0.112E-01 0.481E-02
DAV: 21 -0.383490875071E+03 -0.69718E-02 -0.52116E-04 327 0.642E-02 0.445E-02
DAV: 22 -0.383493676500E+03 -0.28014E-02 -0.12499E-04 345 0.295E-02 0.248E-02
DAV: 23 -0.383497819791E+03 -0.41433E-02 -0.21558E-04 318 0.314E-02 0.281E-02
DAV: 24 -0.383500802333E+03 -0.29825E-02 -0.15139E-04 318 0.285E-02 0.275E-02
DAV: 25 -0.383501630290E+03 -0.82796E-03 -0.42200E-05 318 0.170E-02 0.164E-02
DAV: 26 -0.383502613372E+03 -0.98308E-03 -0.44904E-05 273 0.151E-02 0.122E-02
DAV: 27 -0.383502981007E+03 -0.36764E-03 -0.15956E-05 264 0.102E-02 0.144E-02
DAV: 28 -0.383503259209E+03 -0.27820E-03 -0.10288E-05 228 0.781E-03 0.688E-03
DAV: 29 -0.383503422639E+03 -0.16343E-03 -0.79493E-06 237 0.555E-03 0.202E-03
DAV: 30 -0.383503491043E+03 -0.68404E-04 -0.20641E-06 228 0.398E-03 0.249E-03
DAV: 31 -0.383503527087E+03 -0.36044E-04 -0.94654E-07 192 0.247E-03 0.187E-03
DAV: 32 -0.383503552078E+03 -0.24991E-04 -0.90875E-07 219 0.257E-03 0.210E-03
DAV: 33 -0.383503570710E+03 -0.18632E-04 -0.72302E-07 192 0.229E-03 0.166E-03
DAV: 34 -0.383503576516E+03 -0.58062E-05 -0.34535E-07 219 0.148E-03
1 F= -.38350358E+03 E0= -.38352008E+03 d E =0.495222E-01