iterations/neb0_image05_iter37_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 0.144945268767E+04 0.14495E+04 -0.44217E+04 330 0.697E+02
DAV: 2 0.231398932402E+03 -0.12181E+04 -0.11417E+04 417 0.163E+02
DAV: 3 -0.361595300385E+03 -0.59299E+03 -0.58976E+03 345 0.114E+02
DAV: 4 -0.433185737854E+03 -0.71590E+02 -0.71342E+02 309 0.514E+01
DAV: 5 -0.434835976562E+03 -0.16502E+01 -0.16473E+01 327 0.796E+00 0.426E+01
DAV: 6 -0.388951658024E+03 0.45884E+02 -0.14732E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385491951775E+03 0.34597E+01 -0.13343E+01 345 0.781E+00 0.104E+01
DAV: 8 -0.384023435803E+03 0.14685E+01 -0.19985E+00 327 0.382E+00 0.432E+00
DAV: 9 -0.383489167396E+03 0.53427E+00 -0.75153E-01 336 0.223E+00 0.110E+00
DAV: 10 -0.383419360035E+03 0.69807E-01 -0.16560E-01 336 0.965E-01 0.910E-01
DAV: 11 -0.383391899067E+03 0.27461E-01 -0.11121E-01 327 0.564E-01 0.802E-01
DAV: 12 -0.383386503591E+03 0.53955E-02 -0.39160E-01 345 0.676E-01 0.107E+00
DAV: 13 -0.383351973468E+03 0.34530E-01 -0.38867E-02 345 0.471E-01 0.502E-01
DAV: 14 -0.383344341130E+03 0.76323E-02 -0.30560E-02 318 0.444E-01 0.438E-01
DAV: 15 -0.383343303753E+03 0.10374E-02 -0.87388E-03 336 0.261E-01 0.259E-01
DAV: 16 -0.383345118779E+03 -0.18150E-02 -0.15556E-02 309 0.250E-01 0.257E-01
DAV: 17 -0.383351009117E+03 -0.58903E-02 -0.73942E-03 318 0.182E-01 0.133E-01
DAV: 18 -0.383360270573E+03 -0.92615E-02 -0.29368E-03 282 0.168E-01 0.949E-02
DAV: 19 -0.383372790753E+03 -0.12520E-01 -0.30729E-03 309 0.169E-01 0.616E-02
DAV: 20 -0.383380046162E+03 -0.72554E-02 -0.11616E-03 327 0.894E-02 0.481E-02
DAV: 21 -0.383383731630E+03 -0.36855E-02 -0.15975E-04 336 0.318E-02 0.493E-02
DAV: 22 -0.383390391721E+03 -0.66601E-02 -0.79138E-04 309 0.483E-02 0.580E-02
DAV: 23 -0.383391793776E+03 -0.14021E-02 -0.12642E-04 309 0.228E-02 0.324E-02
DAV: 24 -0.383393233779E+03 -0.14400E-02 -0.11302E-04 291 0.196E-02 0.167E-02
DAV: 25 -0.383394803563E+03 -0.15698E-02 -0.80758E-05 291 0.166E-02 0.750E-03
DAV: 26 -0.383395381969E+03 -0.57841E-03 -0.21411E-05 255 0.844E-03 0.130E-02
DAV: 27 -0.383395743539E+03 -0.36157E-03 -0.14322E-05 210 0.721E-03 0.458E-03
DAV: 28 -0.383395852575E+03 -0.10904E-03 -0.69703E-06 228 0.583E-03 0.325E-03
DAV: 29 -0.383395934262E+03 -0.81688E-04 -0.31355E-06 192 0.457E-03 0.169E-03
DAV: 30 -0.383395975965E+03 -0.41703E-04 -0.19713E-06 219 0.281E-03 0.137E-03
DAV: 31 -0.383395996900E+03 -0.20934E-04 -0.89901E-07 219 0.186E-03 0.128E-03
DAV: 32 -0.383396017358E+03 -0.20458E-04 -0.11357E-06 219 0.252E-03 0.139E-03
DAV: 33 -0.383396020818E+03 -0.34605E-05 -0.32126E-07 228 0.150E-03
1 F= -.38339602E+03 E0= -.38341271E+03 d E =0.500647E-01