iterations/neb0_image05_iter35_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 0.144701671597E+04 0.14470E+04 -0.44218E+04 330 0.697E+02
DAV: 2 0.231367099811E+03 -0.12156E+04 -0.11386E+04 417 0.163E+02
DAV: 3 -0.364757974594E+03 -0.59613E+03 -0.59280E+03 354 0.114E+02
DAV: 4 -0.432664872077E+03 -0.67907E+02 -0.67667E+02 309 0.492E+01
DAV: 5 -0.434190005899E+03 -0.15251E+01 -0.15223E+01 327 0.765E+00 0.426E+01
DAV: 6 -0.388428398298E+03 0.45762E+02 -0.14828E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.384991163450E+03 0.34372E+01 -0.12740E+01 354 0.779E+00 0.104E+01
DAV: 8 -0.383528399162E+03 0.14628E+01 -0.21849E+00 327 0.381E+00 0.427E+00
DAV: 9 -0.382969521974E+03 0.55888E+00 -0.95738E-01 336 0.213E+00 0.112E+00
DAV: 10 -0.382920647792E+03 0.48874E-01 -0.38233E-01 345 0.106E+00 0.979E-01
DAV: 11 -0.382883689766E+03 0.36958E-01 -0.91433E-02 327 0.565E-01 0.638E-01
DAV: 12 -0.382855288128E+03 0.28402E-01 -0.65475E-02 327 0.501E-01 0.562E-01
DAV: 13 -0.382848169975E+03 0.71182E-02 -0.31425E-02 363 0.496E-01 0.628E-01
DAV: 14 -0.382836005178E+03 0.12165E-01 -0.47169E-02 318 0.393E-01 0.447E-01
DAV: 15 -0.382836527162E+03 -0.52198E-03 -0.22306E-02 345 0.299E-01 0.211E-01
DAV: 16 -0.382844215117E+03 -0.76880E-02 -0.70209E-03 291 0.250E-01 0.182E-01
DAV: 17 -0.382848860745E+03 -0.46456E-02 -0.25700E-03 327 0.157E-01 0.123E-01
DAV: 18 -0.382858201103E+03 -0.93404E-02 -0.11093E-03 291 0.121E-01 0.966E-02
DAV: 19 -0.382868877632E+03 -0.10677E-01 -0.22375E-03 309 0.145E-01 0.106E-01
DAV: 20 -0.382873186551E+03 -0.43089E-02 -0.94070E-04 354 0.887E-02 0.739E-02
DAV: 21 -0.382878246760E+03 -0.50602E-02 -0.33863E-04 300 0.466E-02 0.815E-02
DAV: 22 -0.382883998951E+03 -0.57522E-02 -0.38308E-04 300 0.405E-02 0.346E-02
DAV: 23 -0.382886258394E+03 -0.22594E-02 -0.11252E-04 345 0.223E-02 0.162E-02
DAV: 24 -0.382887868280E+03 -0.16099E-02 -0.63311E-05 291 0.178E-02 0.145E-02
DAV: 25 -0.382888917998E+03 -0.10497E-02 -0.36321E-05 282 0.115E-02 0.745E-03
DAV: 26 -0.382889369325E+03 -0.45133E-03 -0.15706E-05 246 0.940E-03 0.191E-02
DAV: 27 -0.382889733121E+03 -0.36380E-03 -0.22711E-05 246 0.970E-03 0.310E-03
DAV: 28 -0.382889838733E+03 -0.10561E-03 -0.64410E-06 237 0.543E-03 0.662E-03
DAV: 29 -0.382889938100E+03 -0.99368E-04 -0.27132E-06 192 0.411E-03 0.527E-03
DAV: 30 -0.382889976698E+03 -0.38598E-04 -0.16125E-06 219 0.276E-03 0.162E-03
DAV: 31 -0.382890005320E+03 -0.28622E-04 -0.10148E-06 219 0.244E-03 0.115E-03
DAV: 32 -0.382890021478E+03 -0.16159E-04 -0.61312E-07 219 0.161E-03 0.857E-04
DAV: 33 -0.382890030721E+03 -0.92428E-05 -0.30256E-07 210 0.986E-04
1 F= -.38289003E+03 E0= -.38290671E+03 d E =0.500486E-01