iterations/neb0_image06_iter53_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 0.144882799719E+04 0.14488E+04 -0.44237E+04 330 0.697E+02
DAV: 2 0.230538693870E+03 -0.12183E+04 -0.11416E+04 417 0.163E+02
DAV: 3 -0.368002522680E+03 -0.59854E+03 -0.59527E+03 363 0.114E+02
DAV: 4 -0.433237489148E+03 -0.65235E+02 -0.65004E+02 300 0.473E+01
DAV: 5 -0.434674949631E+03 -0.14375E+01 -0.14349E+01 345 0.733E+00 0.427E+01
DAV: 6 -0.388676372659E+03 0.45999E+02 -0.15130E+02 309 0.288E+01 0.209E+01
DAV: 7 -0.385236265507E+03 0.34401E+01 -0.13126E+01 345 0.777E+00 0.104E+01
DAV: 8 -0.383764215492E+03 0.14721E+01 -0.22567E+00 327 0.384E+00 0.433E+00
DAV: 9 -0.383197223052E+03 0.56699E+00 -0.10084E+00 336 0.220E+00 0.106E+00
DAV: 10 -0.383140647957E+03 0.56575E-01 -0.19058E-01 336 0.986E-01 0.100E+00
DAV: 11 -0.383124060557E+03 0.16587E-01 -0.28098E-01 363 0.582E-01 0.102E+00
DAV: 12 -0.383098366254E+03 0.25694E-01 -0.11863E-01 363 0.645E-01 0.980E-01
DAV: 13 -0.383082097851E+03 0.16268E-01 -0.12878E-01 372 0.467E-01 0.583E-01
DAV: 14 -0.383072654865E+03 0.94430E-02 -0.13012E-02 318 0.344E-01 0.387E-01
DAV: 15 -0.383068078977E+03 0.45759E-02 -0.14450E-02 309 0.365E-01 0.197E-01
DAV: 16 -0.383073470412E+03 -0.53914E-02 -0.57178E-03 336 0.233E-01 0.160E-01
DAV: 17 -0.383081881459E+03 -0.84110E-02 -0.23441E-03 282 0.168E-01 0.115E-01
DAV: 18 -0.383092653446E+03 -0.10772E-01 -0.21406E-03 318 0.161E-01 0.710E-02
DAV: 19 -0.383100171838E+03 -0.75184E-02 -0.13007E-03 327 0.109E-01 0.522E-02
DAV: 20 -0.383107170894E+03 -0.69991E-02 -0.54247E-04 327 0.694E-02 0.373E-02
DAV: 21 -0.383112647384E+03 -0.54765E-02 -0.25640E-04 327 0.401E-02 0.227E-02
DAV: 22 -0.383116823206E+03 -0.41758E-02 -0.23504E-04 300 0.346E-02 0.182E-02
DAV: 23 -0.383119636848E+03 -0.28136E-02 -0.12860E-04 318 0.261E-02 0.110E-02
DAV: 24 -0.383121150646E+03 -0.15138E-02 -0.89014E-05 300 0.202E-02 0.976E-03
DAV: 25 -0.383121918228E+03 -0.76758E-03 -0.30351E-05 273 0.139E-02 0.520E-03
DAV: 26 -0.383122280934E+03 -0.36271E-03 -0.18508E-05 228 0.106E-02 0.492E-03
DAV: 27 -0.383122426837E+03 -0.14590E-03 -0.39677E-06 228 0.503E-03 0.331E-03
DAV: 28 -0.383122565543E+03 -0.13871E-03 -0.94782E-06 201 0.814E-03 0.295E-03
DAV: 29 -0.383122581732E+03 -0.16189E-04 -0.16054E-06 237 0.343E-03 0.266E-03
DAV: 30 -0.383122613644E+03 -0.31912E-04 -0.13778E-06 201 0.348E-03 0.123E-03
DAV: 31 -0.383122634713E+03 -0.21069E-04 -0.96513E-07 210 0.257E-03 0.109E-03
DAV: 32 -0.383122646292E+03 -0.11579E-04 -0.46471E-07 210 0.147E-03 0.110E-03
DAV: 33 -0.383122654014E+03 -0.77219E-05 -0.30425E-07 219 0.197E-03
1 F= -.38312265E+03 E0= -.38313949E+03 d E =0.505203E-01