iterations/neb0_image01_iter68_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 0.144699181442E+04 0.14470E+04 -0.44190E+04 330 0.697E+02
DAV: 2 0.224076625715E+03 -0.12229E+04 -0.11459E+04 435 0.163E+02
DAV: 3 -0.363058385297E+03 -0.58714E+03 -0.58368E+03 345 0.114E+02
DAV: 4 -0.433479981707E+03 -0.70422E+02 -0.70149E+02 318 0.508E+01
DAV: 5 -0.435054043907E+03 -0.15741E+01 -0.15716E+01 318 0.779E+00 0.426E+01
DAV: 6 -0.389085839818E+03 0.45968E+02 -0.14812E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385623396596E+03 0.34624E+01 -0.13670E+01 345 0.783E+00 0.104E+01
DAV: 8 -0.384146298761E+03 0.14771E+01 -0.21505E+00 327 0.385E+00 0.437E+00
DAV: 9 -0.383617791867E+03 0.52851E+00 -0.20164E+00 336 0.248E+00 0.148E+00
DAV: 10 -0.383532515202E+03 0.85277E-01 -0.25787E-01 318 0.118E+00 0.110E+00
DAV: 11 -0.383513747868E+03 0.18767E-01 -0.34488E-01 354 0.695E-01 0.114E+00
DAV: 12 -0.383487326688E+03 0.26421E-01 -0.21317E-01 336 0.761E-01 0.979E-01
DAV: 13 -0.383464941098E+03 0.22386E-01 -0.25183E-02 363 0.515E-01 0.593E-01
DAV: 14 -0.383456387071E+03 0.85540E-02 -0.15026E-02 327 0.330E-01 0.388E-01
DAV: 15 -0.383455991815E+03 0.39526E-03 -0.13954E-02 309 0.391E-01 0.632E-01
DAV: 16 -0.383452418376E+03 0.35734E-02 -0.14562E-02 381 0.295E-01 0.232E-01
DAV: 17 -0.383457527456E+03 -0.51091E-02 -0.29773E-03 300 0.213E-01 0.198E-01
DAV: 18 -0.383465827161E+03 -0.82997E-02 -0.30280E-03 300 0.164E-01 0.140E-01
DAV: 19 -0.383479133029E+03 -0.13306E-01 -0.28479E-03 318 0.184E-01 0.644E-02
DAV: 20 -0.383488200848E+03 -0.90678E-02 -0.19629E-03 318 0.131E-01 0.113E-01
DAV: 21 -0.383490604308E+03 -0.24035E-02 -0.23710E-04 327 0.435E-02 0.797E-02
DAV: 22 -0.383494682337E+03 -0.40780E-02 -0.23191E-04 309 0.360E-02 0.672E-02
DAV: 23 -0.383500273660E+03 -0.55913E-02 -0.40196E-04 345 0.539E-02 0.436E-02
DAV: 24 -0.383501920213E+03 -0.16466E-02 -0.10113E-04 327 0.254E-02 0.384E-02
DAV: 25 -0.383503007633E+03 -0.10874E-02 -0.64514E-05 309 0.214E-02 0.161E-02
DAV: 26 -0.383504058443E+03 -0.10508E-02 -0.40209E-05 300 0.152E-02 0.823E-03
DAV: 27 -0.383504723638E+03 -0.66520E-03 -0.24001E-05 255 0.939E-03 0.678E-03
DAV: 28 -0.383504931839E+03 -0.20820E-03 -0.64784E-06 237 0.674E-03 0.609E-03
DAV: 29 -0.383505150857E+03 -0.21902E-03 -0.80417E-06 201 0.610E-03 0.494E-03
DAV: 30 -0.383505213104E+03 -0.62247E-04 -0.29401E-06 228 0.548E-03 0.270E-03
DAV: 31 -0.383505255488E+03 -0.42384E-04 -0.60438E-06 219 0.727E-03 0.360E-03
DAV: 32 -0.383505299936E+03 -0.44448E-04 -0.19315E-06 201 0.402E-03 0.259E-03
DAV: 33 -0.383505311290E+03 -0.11354E-04 -0.19092E-06 228 0.374E-03 0.118E-03
DAV: 34 -0.383505324646E+03 -0.13357E-04 -0.53068E-07 183 0.218E-03 0.912E-04
DAV: 35 -0.383505332078E+03 -0.74313E-05 -0.51017E-07 219 0.176E-03
1 F= -.38350533E+03 E0= -.38352184E+03 d E =0.495232E-01